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

Systemtic Name: 2-[[1-cyclohexyl-2-(3-phenylquinolin-6-yl)benzimidazol-5-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-phenyl-6-quinolyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-phenyl-6-quinolinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(3-phenylquinolin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-phenyl-6-quinolyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C40H35N5O4 MolecularWeight: 649.737

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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=CC(=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=CC(=CN=C7C=C6)C8=CC=CC=C8

InChI

InChI=1S/C40H35N5O4/c46-31-13-15-34-32(21-31)29(23-42-34)20-36(40(48)49)44-39(47)26-12-16-37-35(19-26)43-38(45(37)30-9-5-2-6-10-30)25-11-14-33-27(17-25)18-28(22-41-33)24-7-3-1-4-8-24/h1,3-4,7-8,11-19,21-23,30,36,42,46H,2,5-6,9-10,20H2,(H,44,47)(H,48,49)