G37
2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE
Find entries where: G37
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE |
| Synonyms | GR137615 |
| Identifiers | (2R,4S)-N-[(2R,3R)-5-(1H-benzimidazol-2-ylmethylamino)-3-hydroxy-5-oxo-1-phenyl-pentan-2-yl]-5,5-dimethyl-2-[(1R)-2-oxo-1-(2-phenylethanoylamino)-2-(phenylmethylamino)ethyl]-1,3-thiazolidine-4-carboxamide |
| Formula | C42 H47 N7 O5 S |
| Molecular Weight | 761.931 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C |
| InChI | InChI=1S/C42H47N7O5S/c1-42(2)38(49-41(55-42)37(39(53)44-25-29-18-10-5-11-19-29)48-36(52)23-28-16-8-4-9-17-28)40(54)47-32(22-27-14-6-3-7-15-27)33(50)24-35(51)43-26-34-45-30-20-12-13-21-31(30)46-34/h3-21,32-33,37-38,41,49-50H,22-26H2,1-2H3,(H,43,51)(H,44,53)(H,45,46)(H,47,54)(H,48,52)/t32-,33-,37-,38+,41-/m1/s1 |
| InChIKey | ZABIWLDXHYJWLT-QGNCIQMXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 102 |
| Chiral Atom Count | 5 |
| Bond Count | 107 |
| Aromatic Bond Count | 28 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 446138 |
| ChEMBL | CHEMBL443355 |
