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GLP-1-(7-36) amide |
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ID: API-28635 CAS:107444-51-9 Supplier:APIchem 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
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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
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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
3 1 2 N2 S3 O2 179.974
2 1 3 O2 S3 N2 179.974
1 3 15 S3 N2 C3 120.001
9 4 5 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
10 4 5 C3 C3 C3 90.000
4 5 6 C3 C3 C3 120.001
4 5 16 C3 C3 HC 160.009
4 5 17 C3 C3 HC 80.000
11 4 5 C3 C3 C3 90.000
4 5 6 C3 C3 C3 120.001
4 5 16 C3 C3 HC 160.009
4 5 17 C3 C3 HC 80.000
5 4 9 C3 C3 C3 179.974
4 9 26 C3 C3 HC 90.001
4 9 27 C3 C3 HC 179.974
4 9 28 C3 C3 HC 89.999
10 4 9 C3 C3 C3 90.000
4 9 26 C3 C3 HC 90.001
4 9 27 C3 C3 HC 179.974
4 9 28 C3 C3 HC 89.999
11 4 9 C3 C3 C3 90.000
4 9 26 C3 C3 HC 90.001
4 9 27 C3 C3 HC 179.974
4 9 28 C3 C3 HC 89.999
5 4 10 C3 C3 C3 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
9 4 10 C3 C3 C3 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
11 4 10 C3 C3 C3 179.974
4 10 29 C3 C3 HC 89.996
4 10 30 C3 C3 HC 179.974
4 10 31 C3 C3 HC 89.999
5 4 11 C3 C3 C3 90.000
4 11 32 C3 C3 HC 90.001
4 11 33 C3 C3 HC 179.974
4 11 34 C3 C3 HC 90.004
9 4 11 C3 C3 C3 90.000
4 11 32 C3 C3 HC 90.001
4 11 33 C3 C3 HC 179.974
4 11 34 C3 C3 HC 90.004
10 4 11 C3 C3 C3 179.974
4 11 32 C3 C3 HC 90.001
4 11 33 C3 C3 HC 179.974
4 11 34 C3 C3 HC 90.004
16 5 6 HC C3 C3 79.990
5 6 7 C3 C3 C3 120.001
5 6 18 C3 C3 HC 79.997
5 6 19 C3 C3 HC 159.999
17 5 6 HC C3 C3 159.999
5 6 7 C3 C3 C3 120.001
5 6 18 C3 C3 HC 79.997
5 6 19 C3 C3 HC 159.999
6 5 16 C3 C3 HC 79.990
17 5 16 HC C3 HC 80.009
6 5 17 C3 C3 HC 159.999
16 5 17 HC C3 HC 80.009
18 6 7 HC C3 C3 160.002
6 7 8 C3 C3 C3 119.999
6 7 20 C3 C3 HC 160.002
6 7 21 C3 C3 HC 80.000
19 6 7 HC C3 C3 80.000
6 7 8 C3 C3 C3 119.999
6 7 20 C3 C3 HC 160.002
6 7 21 C3 C3 HC 80.000
7 6 18 C3 C3 HC 160.002
19 6 18 HC C3 HC 80.002
7 6 19 C3 C3 HC 80.000
18 6 19 HC C3 HC 80.002
20 7 8 HC C3 C3 80.000
7 8 12 C3 C3 C3 120.001
7 8 22 C3 C3 HC 80.000
7 8 23 C3 C3 HC 160.009
21 7 8 HC C3 C3 160.002
7 8 12 C3 C3 C3 120.001
7 8 22 C3 C3 HC 80.000
7 8 23 C3 C3 HC 160.009
8 7 20 C3 C3 HC 80.000
21 7 20 HC C3 HC 80.002
8 7 21 C3 C3 HC 160.002
20 7 21 HC C3 HC 80.002
22 8 12 HC C3 C3 159.999
8 12 13 C3 C3 C3 120.001
8 12 24 C3 C3 HC 159.999
8 12 25 C3 C3 HC 79.990
23 8 12 HC C3 C3 79.990
8 12 13 C3 C3 C3 120.001
8 12 24 C3 C3 HC 159.999
8 12 25 C3 C3 HC 79.990
12 8 22 C3 C3 HC 159.999
23 8 22 HC C3 HC 80.009
12 8 23 C3 C3 HC 79.990
22 8 23 HC C3 HC 80.009
27 9 26 HC C3 HC 90.000
28 9 26 HC C3 HC 179.974
26 9 27 HC C3 HC 90.000
28 9 27 HC C3 HC 90.000
26 9 28 HC C3 HC 179.974
27 9 28 HC C3 HC 90.000
30 10 29 HC C3 HC 90.000
31 10 29 HC C3 HC 179.974
29 10 30 HC C3 HC 90.000
31 10 30 HC C3 HC 90.005
29 10 31 HC C3 HC 179.974
30 10 31 HC C3 HC 90.005
33 11 32 HC C3 HC 89.995
34 11 32 HC C3 HC 179.974
32 11 33 HC C3 HC 89.995
34 11 33 HC C3 HC 90.000
32 11 34 HC C3 HC 179.974
33 11 34 HC C3 HC 90.000
24 12 13 HC C3 C3 80.000
12 13 14 C3 C3 C3 119.999
12 13 35 C3 C3 HC 79.993
12 13 36 C3 C3 HC 160.002
25 12 13 HC C3 C3 160.009
12 13 14 C3 C3 C3 119.999
12 13 35 C3 C3 HC 79.993
12 13 36 C3 C3 HC 160.002
13 12 24 C3 C3 HC 80.000
25 12 24 HC C3 HC 80.009
13 12 25 C3 C3 HC 160.009
24 12 25 HC C3 HC 80.009
35 13 14 HC C3 C3 160.009
13 14 15 C3 C3 C3 119.999
13 14 37 C3 C3 HC 160.002
13 14 38 C3 C3 HC 80.000
36 13 14 HC C3 C3 80.000
13 14 15 C3 C3 C3 119.999
13 14 37 C3 C3 HC 160.002
13 14 38 C3 C3 HC 80.000
14 13 35 C3 C3 HC 160.009
36 13 35 HC C3 HC 80.009
14 13 36 C3 C3 HC 80.000
35 13 36 HC C3 HC 80.009
37 14 15 HC C3 C3 80.000
14 15 39 C3 C3 HC 80.000
14 15 40 C3 C3 HC 160.009
38 14 15 HC C3 C3 160.002
14 15 39 C3 C3 HC 80.000
14 15 40 C3 C3 HC 160.009
15 14 37 C3 C3 HC 80.000
38 14 37 HC C3 HC 80.002
15 14 38 C3 C3 HC 160.002
37 14 38 HC C3 HC 80.002
40 15 39 HC C3 HC 80.009
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
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