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

Systemtic Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C34H31N7O3 MolecularWeight: 585.65504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CN=CN4)C(=O)O)N=C2C5=CC6=NC=C(N=C6C=C5)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CN=CN4)C(=O)O)N=C2C5=CC6=NC=C(N=C6C=C5)C7=CC=CC=C7

InChI

InChI=1S/C34H31N7O3/c42-33(40-29(34(43)44)17-24-18-35-20-37-24)23-12-14-31-28(16-23)39-32(41(31)25-9-5-2-6-10-25)22-11-13-26-27(15-22)36-19-30(38-26)21-7-3-1-4-8-21/h1,3-4,7-8,11-16,18-20,25,29H,2,5-6,9-10,17H2,(H,35,37)(H,40,42)(H,43,44)