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GLP-1-(7-36) amide
GLP-1-(7-36) amide ID: API-28635
CAS:107444-51-9
Supplier:APIchem

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SMILES:S(=O)=NCCCCCCCCC(C)(C)C	ChemMol.com
FORMULA: C12H25NOS
MASS: 231.3980
EXACT MASS: 231.1656854
INTERATOMIC DISTANCES

              S   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    1.0000     0.0000 
   N   3    1.0000     2.0000     0.0000 
   C   4    8.6603     9.5394     7.8103     0.0000 
   C   5    7.8103     8.7178     6.9283     1.0000     0.0000 
   C   6    6.9282     7.8102     6.0828     1.7321     1.0001     0.0000 
   C   7    6.0828     7.0000     5.1962     2.6458     1.7321     1.0000 
   C   8    5.1962     6.0828     4.3590     3.4641     2.6458     1.7320 
   C   9    9.5394    10.3923     8.7178     1.0000     2.0000     2.6458 
   C  10    9.2011    10.1189     8.3024     1.0000     1.4142     2.3942 
   C  11    8.2061     9.0337     7.4211     1.0000     1.4142     1.5060 
   C  12    4.3589     5.2915     3.4641     4.3590     3.4642     2.6458 
   C  13    3.4641     4.3589     2.6458     5.1962     4.3590     3.4641 
   C  14    2.6458     3.6055     1.7321     6.0828     5.1962     4.3589 
   C  15    1.7321     2.6458     1.0001     6.9282     6.0828     5.1961 
   H  16    7.4597     8.3923     6.5469     1.5968     0.6200     1.0812 
   H  17    8.2506     9.1781     7.3422     1.0812     0.6199     1.5968 
   H  18    7.3421     8.1927     6.5338     1.4156     1.0812     0.6199 
   H  19    6.5469     7.3957     5.7470     2.1829     1.5968     0.6199 
   H  20    5.7470     6.6942     4.8211     3.1512     2.1829     1.5967 
   H  21    6.5338     7.4737     5.6148     2.4060     1.4156     1.0812 
   H  22    5.6148     6.4607     4.8282     3.1022     2.4060     1.4155 
   H  23    4.8210     5.6637     4.0507     3.8918     3.1513     2.1829 
   H  24    4.0507     5.0192     3.1022     4.8282     3.8918     3.1512 
   H  25    4.8282     5.7858     3.8918     4.0507     3.1022     2.4059 
   H  26    9.8364    10.7158     8.9822     1.1766     2.0939     2.9083 
   H  27   10.0957    10.9336     9.2900     1.6199     2.6199     3.2380 
   H  28    9.2744    10.0966     8.4906     1.1766     2.0938     2.5121 
   H  29    8.7031     9.6362     7.7867     1.1766     1.0697     2.0631 
   H  30    9.5737    10.5100     8.6516     1.6200     1.9038     2.9036 
   H  31    9.7131    10.6159     8.8314     1.1766     1.9037     2.8243 
   H  32    8.7763     9.5871     8.0085     1.1766     1.9037     2.1242 
   H  33    7.9747     8.7630     7.2389     1.6200     1.9038     1.6789 
   H  34    7.6435     8.4895     6.8393     1.1766     1.0698     0.8901 
   H  35    3.8918     4.7288     3.1513     4.8210     4.0507     3.1021 
   H  36    3.1022     3.9317     2.4060     5.6148     4.8282     3.8917 
   H  37    2.4060     3.4019     1.4156     6.5338     5.6148     4.8281 
   H  38    3.1512     4.1346     2.1829     5.7470     4.8211     4.0507 
   H  39    2.1829     2.9967     1.5968     6.5469     5.7470     4.8210 
   H  40    1.4155     2.1996     1.0812     7.3422     6.5339     5.6148 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    3.6055     4.3589     0.0000 
   C  10    3.1196     4.0576     1.4142     0.0000 
   C  11    2.5036     3.0880     1.4142     2.0000     0.0000 
   C  12    1.7321     1.0001     5.2915     4.8440     4.0665     0.0000 
   C  13    2.6458     1.7321     6.0828     5.7617     4.7754     1.0000 
   C  14    3.4641     2.6458     7.0000     6.5724     5.7275     1.7320 
   C  15    4.3589     3.4641     7.8102     7.4785     6.4863     2.6457 
   H  16    1.4155     2.4059     2.5913     1.7680     1.9934     3.1022 
   H  17    2.1829     3.1512     1.9884     0.9736     1.8412     3.8918 
   H  18    1.5967     2.1828     2.1997     2.2716     0.9208     3.1512 
   H  19    1.0812     1.4155     2.9967     2.9526     1.6768     2.4060 
   H  20    0.6199     1.0812     4.1346     3.4983     3.1019     1.4156 
   H  21    0.6199     1.5967     3.4019     2.7018     2.5055     2.1829 
   H  22    1.0812     0.6199     3.9317     3.8094     2.5952     1.5968 
   H  23    1.5968     0.6200     4.7288     4.5641     3.3854     1.0812 
   H  24    2.1829     1.5968     5.7858     5.2298     4.6120     0.6199 
   H  25    1.4155     1.0812     5.0192     4.4329     3.8942     0.6200 
   H  26    3.8024     4.6402     0.6200     1.0698     1.9037     5.5256 
   H  27    4.2100     4.9339     0.6200     1.9037     1.9037     5.8809 
   H  28    3.5086     4.1517     0.6200     1.9037     1.0697     5.1222 
   H  29    2.6488     3.6233     1.9038     0.6201     2.0938     4.3461 
   H  30    3.5257     4.4985     1.9038     0.6201     2.6200     5.2189 
   H  31    3.6354     4.5352     1.0697     0.6200     2.0938     5.3674 
   H  32    3.1229     3.6932     1.0698     2.0939     0.6200     4.6777 
   H  33    2.6113     3.0021     1.9038     2.6200     0.6201     4.0017 
   H  34    1.8847     2.4900     1.9038     2.0939     0.6201     3.4584 
   H  35    2.4059     1.4155     5.6637     5.4647     4.3154     1.0812 
   H  36    3.1512     2.1829     6.4607     6.2405     5.1097     1.5967 
   H  37    3.8917     3.1512     7.4737     6.9616     6.2385     2.1828 
   H  38    3.1022     2.4060     6.6942     6.1647     5.4820     1.4155 
   H  39    4.0507     3.1022     7.3957     7.1564     6.0424     2.4059 
   H  40    4.8282     3.8918     8.1928     7.9408     6.8380     3.1512 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.7320     1.0000     0.0000 
   H  16    4.0507     4.8210     5.7469     0.0000 
   H  17    4.8282     5.6148     6.5338     0.7971     0.0000 
   H  18    3.8917     4.8281     5.6147     1.4514     1.6888     0.0000 
   H  19    3.1022     4.0507     4.8210     1.6887     2.2063     0.7970 
   H  20    2.4060     3.1022     4.0507     1.7320     2.5291     2.2062 
   H  21    3.1512     3.8917     4.8281     0.9350     1.7321     1.6887 
   H  22    2.1829     3.1512     3.8917     2.3120     2.9752     1.7320 
   H  23    1.4155     2.4059     3.1021     2.9752     3.6918     2.5291 
   H  24    1.0812     1.4155     2.4059     3.4641     4.2612     3.6917 
   H  25    1.5968     2.1829     3.1512     2.6670     3.4641     2.9752 
   H  26    6.3723     7.2530     8.1043     2.6146     1.8923     2.5613 
   H  27    6.6486     7.5792     8.3704     3.2096     2.5854     2.7569 
   H  28    5.8449     6.7943     7.5557     2.7133     2.2572     1.9714 
   H  29    5.2915     6.0630     6.9908     1.2440     0.4752     2.0992 
   H  30    6.1679     6.9313     7.8644     2.1183     1.3473     2.8498 
   H  31    6.2578     7.0993     7.9845     2.3393     1.5616     2.5850 
   H  32    5.3636     6.3252     7.0637     2.5140     2.2093     1.5394 
   H  33    4.6051     5.5863     6.2770     2.4210     2.4024     1.0656 
   H  34    4.1962     5.1350     5.9174     1.5477     1.6334     0.3075 
   H  35    0.6200     1.5968     2.1829     3.8189     4.5664     3.4640 
   H  36    0.6199     1.0812     1.4155     4.5664     5.3282     4.2611 
   H  37    1.5967     0.6199     1.0812     5.1961     5.9932     5.3281 
   H  38    1.0812     0.6199     1.5967     4.3991     5.1962     4.5664 
   H  39    1.4155     1.0812     0.6199     5.4611     6.2332     5.1961 
   H  40    2.1829     1.5968     0.6200     6.2332     7.0108     5.9932 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.6887     0.0000 
   H  21    1.4514     0.7970     0.0000 
   H  22    0.9350     1.4514     1.6887     0.0000 
   H  23    1.7321     1.6888     2.2063     0.7971     0.0000 
   H  24    2.9752     1.7321     2.5291     2.2063     1.6887     0.0000 
   H  25    2.3120     0.9350     1.7320     1.6887     1.4514     0.7971 
   H  26    3.3460     4.2767     3.5035     4.2724     5.0646     5.9787 
   H  27    3.5494     4.7478     4.0204     4.4810     5.2763     6.3861 
   H  28    2.7448     4.0827     3.4118     3.6649     4.4543     5.6547 
   H  29    2.6662     2.9664     2.1719     3.4493     4.1667     4.6960 
   H  30    3.4891     3.8306     3.0399     4.3066     5.0359     5.5552 
   H  31    3.3310     4.0552     3.2635     4.2300     5.0069     5.7808 
   H  32    2.2781     3.7187     3.1030     3.1807     3.9621     5.2285 
   H  33    1.6141     3.2304     2.7542     2.4391     3.1907     4.5837 
   H  34    1.0966     2.4867     1.9223     2.0302     2.8269     3.9965 
   H  35    2.6670     2.3120     2.9752     1.7320     0.9349     1.4514 
   H  36    3.4641     2.9752     3.6917     2.5291     1.7320     1.6887 
   H  37    4.5664     3.4641     4.2611     3.6917     2.9752     1.7320 
   H  38    3.8190     2.6671     3.4641     2.9752     2.3120     0.9350 
   H  39    4.3991     3.8190     4.5664     3.4641     2.6670     2.3120 
   H  40    5.1962     4.5665     5.3282     4.2612     3.4641     2.9752 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    5.1930     0.0000 
   H  27    5.6252     0.8768     0.0000 
   H  28    4.9179     1.2399     0.8768     0.0000 
   H  29    3.8998     1.6640     2.4531     2.2910     0.0000 
   H  30    4.7609     1.4143     2.2910     2.4531     0.8769     0.0000 
   H  31    4.9861     0.5374     1.4142     1.6639     1.2400     0.8769 
   H  32    4.5139     1.6639     1.4142     0.5374     2.3532     2.6924 
   H  33    3.9241     2.4531     2.2910     1.4142     2.6924     3.2401 
   H  34    3.2745     2.2910     2.4531     1.6640     2.0000     2.6924 
   H  35    1.6887     5.9955     6.2095     5.3830     5.0387     5.9137 
   H  36    2.2063     6.7900     7.0056     6.1763     5.7977     6.6743 
   H  37    2.5291     7.6941     8.0636     7.2994     6.4268     7.2833 
   H  38    1.7321     6.9037     7.2885     6.5370     5.6303     6.4878 
   H  39    2.9752     7.7227     7.9397     7.1080     6.6993     7.5761 
   H  40    3.6918     8.5182     8.7361     7.9028     7.4744     8.3507 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.0000     0.0000 
   H  33    2.6923     0.8768     0.0000 
   H  34    2.3532     1.2400     0.8769     0.0000 
   H  35    5.9249     4.8851     4.0942     3.7615     0.0000 
   H  36    6.7112     5.6751     4.8739     4.5584     0.7971     0.0000 
   H  37    7.5093     6.8444     6.1306     5.6356     2.2063     1.6887 
   H  38    6.7137     6.0929     5.4049     4.8734     1.6888     1.4514 
   H  39    7.6365     6.6039     5.7945     5.4933     1.7321     0.9350 
   H  40    8.4270     7.3970     6.5826     6.2903     2.5292     1.7321 

              H  37      H  38      H  39      H  40
              --------------------------------------------
   H  37    0.0000 
   H  38    0.7970     0.0000 
   H  39    1.4514     1.6887     0.0000 
   H  40    1.6888     2.2063     0.7971     0.0000 



ATOMIC CHARGES
   S   1    0.2495185882
   O   2   -0.2174164780
   N   3   -0.2117160489
   C   4   -0.0377016621
   C   5   -0.0481200589
   C   6   -0.0525810913
   C   7   -0.0530400979
   C   8   -0.0530559518
   C   9   -0.0600619515
   C  10   -0.0600619515
   C  11   -0.0600619515
   C  12   -0.0530005921
   C  13   -0.0513700800
   C  14   -0.0326914641
   C  15    0.0506967899
   H  16    0.0270346008
   H  17    0.0270346008
   H  18    0.0265451297
   H  19    0.0265451297
   H  20    0.0265286675
   H  21    0.0265286675
   H  22    0.0265284562
   H  23    0.0265284562
   H  24    0.0265291561
   H  25    0.0265291561
   H  26    0.0234901940
   H  27    0.0234901940
   H  28    0.0234901940
   H  29    0.0234901940
   H  30    0.0234901940
   H  31    0.0234901940
   H  32    0.0234901940
   H  33    0.0234901940
   H  34    0.0234901940
   H  35    0.0265842846
   H  36    0.0265842846
   H  37    0.0283122814
   H  38    0.0283122814
   H  39    0.0515635514
   H  40    0.0515635514


BOND ANGLES
   2    1    3   O2   S3   N2    179.974
   1    3   15   S3   N2   C3    120.001
   5    4    9   C3   C3   C3    179.974
   5    4   10   C3   C3   C3     90.000
   5    4   11   C3   C3   C3     90.000
   9    4   10   C3   C3   C3     90.000
   9    4   11   C3   C3   C3     90.000
  10    4   11   C3   C3   C3    179.974
   4    5    6   C3   C3   C3    120.001
   4    5   16   C3   C3   HC    160.009
   4    5   17   C3   C3   HC     80.000
   6    5   16   C3   C3   HC     79.990
   6    5   17   C3   C3   HC    159.999
  16    5   17   HC   C3   HC     80.009
   5    6    7   C3   C3   C3    120.001
   5    6   18   C3   C3   HC     79.997
   5    6   19   C3   C3   HC    159.999
   7    6   18   C3   C3   HC    160.002
   7    6   19   C3   C3   HC     80.000
  18    6   19   HC   C3   HC     80.002
   6    7    8   C3   C3   C3    119.999
   6    7   20   C3   C3   HC    160.002
   6    7   21   C3   C3   HC     80.000
   8    7   20   C3   C3   HC     80.000
   8    7   21   C3   C3   HC    160.002
  20    7   21   HC   C3   HC     80.002
   7    8   12   C3   C3   C3    120.001
   7    8   22   C3   C3   HC     80.000
   7    8   23   C3   C3   HC    160.009
  12    8   22   C3   C3   HC    159.999
  12    8   23   C3   C3   HC     79.990
  22    8   23   HC   C3   HC     80.009
   4    9   26   C3   C3   HC     90.001
   4    9   27   C3   C3   HC    179.974
   4    9   28   C3   C3   HC     89.999
  26    9   27   HC   C3   HC     90.000
  26    9   28   HC   C3   HC    179.974
  27    9   28   HC   C3   HC     90.000
   4   10   29   C3   C3   HC     89.996
   4   10   30   C3   C3   HC    179.974
   4   10   31   C3   C3   HC     89.999
  29   10   30   HC   C3   HC     90.000
  29   10   31   HC   C3   HC    179.974
  30   10   31   HC   C3   HC     90.005
   4   11   32   C3   C3   HC     90.001
   4   11   33   C3   C3   HC    179.974
   4   11   34   C3   C3   HC     90.004
  32   11   33   HC   C3   HC     89.995
  32   11   34   HC   C3   HC    179.974
  33   11   34   HC   C3   HC     90.000
   8   12   13   C3   C3   C3    120.001
   8   12   24   C3   C3   HC    159.999
   8   12   25   C3   C3   HC     79.990
  13   12   24   C3   C3   HC     80.000
  13   12   25   C3   C3   HC    160.009
  24   12   25   HC   C3   HC     80.009
  12   13   14   C3   C3   C3    119.999
  12   13   35   C3   C3   HC     79.993
  12   13   36   C3   C3   HC    160.002
  14   13   35   C3   C3   HC    160.009
  14   13   36   C3   C3   HC     80.000
  35   13   36   HC   C3   HC     80.009
  13   14   15   C3   C3   C3    119.999
  13   14   37   C3   C3   HC    160.002
  13   14   38   C3   C3   HC     80.000
  15   14   37   C3   C3   HC     80.000
  15   14   38   C3   C3   HC    160.002
  37   14   38   HC   C3   HC     80.002
   3   15   14   N2   C3   C3    120.001
   3   15   39   N2   C3   HC    159.999
   3   15   40   N2   C3   HC     79.990
  14   15   39   C3   C3   HC     80.000
  14   15   40   C3   C3   HC    160.009
  39   15   40   HC   C3   HC     80.009


TORSION ANGLES
   2    1    3   15      0.026
   1    3   15   14    179.974
   1    3   15   39      0.026
   1    3   15   40      0.026
   9    4    5    6    180.000
   9    4    5   16    180.000
   9    4    5   17    180.000
  10    4    5    6    179.974
  10    4    5   16      0.026
  10    4    5   17      0.026
  11    4    5    6      0.026
  11    4    5   16    179.974
  11    4    5   17    179.974
   5    4    9   26    180.000
   5    4    9   27    180.000
   5    4    9   28    180.000
  10    4    9   26      0.026
  10    4    9   27    179.974
  10    4    9   28    179.974
  11    4    9   26    179.974
  11    4    9   27      0.026
  11    4    9   28      0.026
   5    4   10   29      0.026
   5    4   10   30      0.026
   5    4   10   31    179.974
   9    4   10   29    179.974
   9    4   10   30    179.974
   9    4   10   31      0.026
  11    4   10   29    180.000
  11    4   10   30    180.000
  11    4   10   31    180.000
   5    4   11   32    179.974
   5    4   11   33    179.974
   5    4   11   34      0.026
   9    4   11   32      0.026
   9    4   11   33      0.026
   9    4   11   34    179.974
  10    4   11   32    180.000
  10    4   11   33    180.000
  10    4   11   34    180.000
   4    5    6    7    179.974
   4    5    6   18      0.026
   4    5    6   19      0.026
  16    5    6    7      0.026
  16    5    6   18    179.974
  16    5    6   19    179.974
  17    5    6    7      0.026
  17    5    6   18    179.974
  17    5    6   19    179.974
   5    6    7    8    179.974
   5    6    7   20      0.026
   5    6    7   21      0.026
  18    6    7    8      0.026
  18    6    7   20    179.974
  18    6    7   21    179.974
  19    6    7    8      0.026
  19    6    7   20    179.974
  19    6    7   21    179.974
   6    7    8   12    179.974
   6    7    8   22      0.026
   6    7    8   23      0.026
  20    7    8   12      0.026
  20    7    8   22    179.974
  20    7    8   23    179.974
  21    7    8   12      0.026
  21    7    8   22    179.974
  21    7    8   23    179.974
   7    8   12   13    179.974
   7    8   12   24      0.026
   7    8   12   25      0.026
  22    8   12   13      0.026
  22    8   12   24    179.974
  22    8   12   25    179.974
  23    8   12   13      0.026
  23    8   12   24    179.974
  23    8   12   25    179.974
   8   12   13   14    179.974
   8   12   13   35      0.026
   8   12   13   36      0.026
  24   12   13   14      0.026
  24   12   13   35    179.974
  24   12   13   36    179.974
  25   12   13   14      0.026
  25   12   13   35    179.974
  25   12   13   36    179.974
  12   13   14   15    179.974
  12   13   14   37      0.026
  12   13   14   38      0.026
  35   13   14   15      0.026
  35   13   14   37    179.974
  35   13   14   38    179.974
  36   13   14   15      0.026
  36   13   14   37    179.974
  36   13   14   38    179.974
  13   14   15    3    179.974
  13   14   15   39      0.026
  13   14   15   40      0.026
  37   14   15    3      0.026
  37   14   15   39    179.974
  37   14   15   40    179.974
  38   14   15    3      0.026
  38   14   15   39    179.974
  38   14   15   40    179.974