4-azanyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazol-5-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[1-cyclohexyl-2-(2-phenyl-6-quinoxalinyl)-5-benzimidazolyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[1-cyclohexyl-2-(2-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-4-keto-butyric acid Formula: C32H30N6O4 MolecularWeight: 562.6184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC(=O)N)C(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC(=O)N)C(=O)O)N=C2C4=CC5=NC=C(N=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C32H30N6O4/c33-29(39)17-26(32(41)42)37-31(40)21-12-14-28-25(16-21)36-30(38(28)22-9-5-2-6-10-22)20-11-13-23-24(15-20)34-18-27(35-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-16,18,22,26H,2,5-6,9-10,17H2,(H2,33,39)(H,37,40)(H,41,42)