2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C39H34N6O4 MolecularWeight: 650.72506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC7=NC(=CN=C7C=C6)C8=CC=CC=C8

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC7=NC(=CN=C7C=C6)C8=CC=CC=C8

InChI

InChI=1S/C39H34N6O4/c46-28-13-15-30-29(20-28)26(21-40-30)19-34(39(48)49)44-38(47)25-12-16-36-33(18-25)43-37(45(36)27-9-5-2-6-10-27)24-11-14-31-32(17-24)42-35(22-41-31)23-7-3-1-4-8-23/h1,3-4,7-8,11-18,20-22,27,34,40,46H,2,5-6,9-10,19H2,(H,44,47)(H,48,49)