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

Systemtic Name: 2-[[1-cyclohexyl-2-(2-methylquinolin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-methyl-6-quinolyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-methyl-6-quinolinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2-methylquinolin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-methyl-6-quinolyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C35H33N5O4 MolecularWeight: 587.66762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)NC(CC6=CNC7=C6C=C(C=C7)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)NC(CC6=CNC7=C6C=C(C=C7)O)C(=O)O

InChI

InChI=1S/C35H33N5O4/c1-20-7-8-21-15-22(9-12-28(21)37-20)33-38-30-16-23(10-14-32(30)40(33)25-5-3-2-4-6-25)34(42)39-31(35(43)44)17-24-19-36-29-13-11-26(41)18-27(24)29/h7-16,18-19,25,31,36,41H,2-6,17H2,1H3,(H,39,42)(H,43,44)