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N-Trityl-L-serine methyl ester
N-Trityl-L-serine methyl ester ID: B204127
CAS:4465-44-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N(C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C(=O)OC)CO	
FORMULA: C23H23NO3
MASS: 361.4336
EXACT MASS: 361.1677936
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8167     0.0000 
   C   3    0.8250     1.6417     0.0000 
   C   4    1.4301     2.1784     0.8269     0.0000 
   C   5    1.2450     0.8321     1.9383     2.6606     0.0000 
   C   6    1.1004     0.8288     1.7631     1.9775     1.6606     0.0000 
   C   7    1.6290     0.8267     2.4499     2.9006     1.2434     1.0739 
   O   8    2.1835     2.9691     1.4301     0.8250     3.3657     2.8018 
   O   9    1.6502     2.1821     1.4292     0.8233     2.8603     1.6783 
   C  10    1.4280     2.1716     0.8233     1.4292     2.1659     2.4978 
   O  11    1.6466     2.1685     1.4250     2.1811     1.8473     2.7325 
   C  12    2.2272     1.4286     3.0426     3.6051     1.3401     1.8934 
   C  13    2.0807     1.4231     2.8334     3.0790     2.0367     1.1056 
   C  14    1.9228     1.4393     2.5914     2.7175     2.1892     0.8336 
   C  15    1.1544     1.4328     1.4067     1.2930     2.2011     0.8300 
   C  16    1.3573     1.4395     1.7153     2.5353     0.8366     2.2037 
   C  17    2.0421     1.4359     2.7632     3.4699     0.8257     2.1841 
   C  18    2.4735     2.9736     2.1811     1.4250     3.6779     2.3783 
   C  19    1.9817     2.1887     2.1078     1.6994     2.9935     1.4328 
   C  20    2.9934     2.1782     3.8171     4.3207     2.1612     2.4639 
   C  21    2.8901     2.1783     3.6567     3.8968     2.6530     1.9301 
   C  22    2.1885     2.1975     2.4634     3.2902     1.4395     2.9985 
   C  23    2.6666     2.1951     3.2784     4.0523     1.4334     2.9841 
   C  24    2.5109     2.1960     3.0318     2.9350     2.9869     1.4393 
   C  25    2.7280     2.4947     3.1600     3.9801     1.6626     3.3232 
   C  26    3.2688     2.4729     4.0825     4.4514     2.7017     2.4841 
   C  27    2.5338     2.4864     2.8384     2.5225     3.3181     1.6576 

              C   7      O   8      O   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    3.7153     0.0000 
   O   9    2.7336     1.4280     0.0000 
   C  10    2.9965     1.6502     2.1811     0.0000 
   O  11    2.9330     2.4735     2.8542     0.8233     0.0000 
   C  12    0.8280     4.3973     3.5258     3.4438     3.1874     0.0000 
   C  13    0.8197     3.9014     2.6900     3.5084     3.5896     1.4341 
   C  14    1.1180     3.5278     2.2454     3.3309     3.5286     1.8645 
   C  15    1.8952     2.0880     0.8499     2.2282     2.7017     2.7014 
   C  16    2.0512     3.0935     2.9658     1.6157     1.0831     2.1524 
   C  17    1.3519     4.1889     3.6007     2.9575     2.5275     0.9072 
   C  18    3.4521     1.6466     0.8233     2.8542     3.5905     4.2659 
   C  19    2.4724     2.3335     0.9100     2.9222     3.4805     3.3004 
   C  20    1.4245     5.1303     4.1411     4.2575     4.0083     0.8226 
   C  21    1.4231     4.7165     3.4618     4.3138     4.3384     1.6547 
   C  22    2.6711     3.7612     3.7789     2.1565     1.3957     2.5402 
   C  23    2.1820     4.7011     4.2937     3.2818     2.6739     1.6291 
   C  24    1.9451     3.6801     2.2717     3.8317     4.1568     2.6616 
   C  25    2.7272     4.5196     4.3734     2.9558     2.2224     2.3423 
   C  26    1.6462     5.2762     4.1209     4.6407     4.5187     1.4290 
   C  27    2.4929     3.1688     1.7459     3.6617     4.1373     3.2854 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.5150     0.0000 
   C  15    1.8571     1.4449     0.0000 
   C  16    2.8082     2.8785     2.5027     0.0000 
   C  17    2.1464     2.4649     2.8684     1.4450     0.0000 
   C  18    3.2752     2.7845     1.5670     3.7816     4.4035     0.0000 
   C  19    2.1672     1.6618     0.8288     3.3314     3.6038     1.1490 
   C  20    1.6529     2.1633     3.2939     2.9637     1.6175     4.8245 
   C  21    0.8267     1.2166     2.6504     3.4725     2.5317     3.9797 
   C  22    3.4747     3.6154     3.3346     0.8321     1.6650     4.5880 
   C  23    2.9669     3.2964     3.6162     1.6660     0.8316     5.1111 
   C  24    1.2354     0.8288     1.6696     3.6240     3.2936     2.5751 
   C  25    3.5448     3.7942     3.8150     1.4450     1.4455     5.1954 
   C  26    1.4365     1.9259     3.2797     3.5363     2.3244     4.7081 
   C  27    1.9334     1.4362     1.4431     3.8139     3.7827     1.8455 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.7719     0.0000 
   C  21    2.8383     1.4330     0.0000 
   C  22    4.1633     3.2825     4.0517     0.0000 
   C  23    4.3834     2.1506     3.2836     1.4409     0.0000 
   C  24    1.4449     2.8408     1.5887     4.3929     4.1251     0.0000 
   C  25    4.6287     2.9536     3.9770     0.8327     0.8350     4.6130 
   C  26    3.5865     0.8231     0.8338     3.9691     2.9446     2.4142 
   C  27    0.8360     3.5839     2.4098     4.6301     4.6042     0.8317 

              C  25      C  26      C  27
              ---------------------------------
   C  25    0.0000 
   C  26    3.7246     0.0000 
   C  27    4.9805     3.2254     0.0000 



ATOMIC CHARGES
   N   1   -0.1964465661
   C   2    0.1160765509
   C   3    0.2053399976
   C   4    0.3357636659
   C   5   -0.0004360503
   C   6   -0.0004360503
   C   7   -0.0004360503
   O   8   -0.2484597740
   O   9   -0.4433859772
   C  10    0.2107400934
   O  11   -0.2182332512
   C  12   -0.0023538867
   C  13   -0.0023538867
   C  14   -0.0023538867
   C  15   -0.0023538867
   C  16   -0.0023538867
   C  17   -0.0023538867
   C  18    0.2556477993
   C  19   -0.0002593034
   C  20   -0.0002593034
   C  21   -0.0002593034
   C  22   -0.0002593034
   C  23   -0.0002593034
   C  24   -0.0002593034
   C  25   -0.0000184157
   C  26   -0.0000184157
   C  27   -0.0000184157


BOND ANGLES
   2    1    3   C3   N3   C3    179.418
   1    2    5   N3   C3  Car     98.061
   1    2    6   N3   C3  Car     83.934
   1    2    7   N3   C3  Car    164.823
   5    2    6  Car   C3  Car    178.005
   5    2    7  Car   C3  Car     97.116
   6    2    7  Car   C3  Car     80.889
   1    3    4   N3   C3   C2    119.923
   1    3   10   N3   C3   C3    120.069
   4    3   10   C2   C3   C3    120.009
   3    4    8   C3   C2   O2    119.923
   3    4    9   C3   C2   O3    120.009
   8    4    9   O2   C2   O3    120.069
   2    5   16   C3  Car  Car    119.221
   2    5   17   C3  Car  Car    120.034
  16    5   17  Car  Car  Car    120.745
   2    6   14   C3  Car  Car    119.951
   2    6   15   C3  Car  Car    119.476
  14    6   15  Car  Car  Car    120.573
   2    7   12   C3  Car  Car    119.388
   2    7   13   C3  Car  Car    119.619
  12    7   13  Car  Car  Car    120.993
   4    9   18   C2   O3   C3    119.863
   3   10   11   C3   C3   O3    119.863
   7   12   20  Car  Car  Car    119.314
   7   13   21  Car  Car  Car    119.619
   6   14   24  Car  Car  Car    119.951
   6   15   19  Car  Car  Car    119.476
   5   16   22  Car  Car  Car    119.221
   5   17   23  Car  Car  Car    119.754
  15   19   27  Car  Car  Car    120.186
  12   20   26  Car  Car  Car    120.533
  13   21   26  Car  Car  Car    119.798
  16   22   25  Car  Car  Car    120.450
  17   23   25  Car  Car  Car    120.299
  14   24   27  Car  Car  Car    119.741
  22   25   23  Car  Car  Car    119.531
  20   26   21  Car  Car  Car    119.742
  19   27   24  Car  Car  Car    120.074


TORSION ANGLES
   5    2    1    3      0.026
   6    2    1    3    179.974
   7    2    1    3    179.974
   4    3    1    2    179.974
  10    3    1    2      0.026
   8    4    3    1    179.974
   8    4    3   10      0.026
   9    4    3    1      0.026
   9    4    3   10    179.974
  16    5    2    1      0.026
  16    5    2    6    179.974
  16    5    2    7    179.974
  17    5    2    1    179.974
  17    5    2    6      0.026
  17    5    2    7      0.026
  14    6    2    1    179.974
  14    6    2    5      0.026
  14    6    2    7      0.026
  15    6    2    1      0.026
  15    6    2    5    179.974
  15    6    2    7    179.974
  12    7    2    1    179.974
  12    7    2    5      0.026
  12    7    2    6    179.974
  13    7    2    1      0.026
  13    7    2    5    179.974
  13    7    2    6      0.026
  18    9    4    3    179.974
  18    9    4    8      0.026
  11   10    3    1      0.026
  11   10    3    4    179.974
  20   12    7    2    179.974
  20   12    7   13      0.026
  21   13    7    2    179.974
  21   13    7   12      0.026
  24   14    6    2    179.974
  24   14    6   15      0.026
  19   15    6    2    179.974
  19   15    6   14      0.026
  22   16    5    2    179.974
  22   16    5   17      0.026
  23   17    5    2    179.974
  23   17    5   16      0.026
  27   19   15    6      0.026
  26   20   12    7      0.026
  26   21   13    7      0.026
  25   22   16    5      0.026
  25   23   17    5      0.026
  27   24   14    6      0.026
  22   25   23   17      0.026
  20   26   21   13      0.026
  24   27   19   15      0.026
  12   20   26   21      0.026
  14   24   27   19      0.026
  16   22   25   23      0.026


CHIRAL ATOMS
  16   22   25   23      0.026