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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-phenyl-benzimidazol-5-yl)carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(1-cyclohexyl-2-phenyl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(1-cyclohexyl-2-phenyl-5-benzimidazolyl)-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-phenylbenzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(1-cyclohexyl-2-phenyl-benzimidazole-5-carbonyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C31H30N4O4 MolecularWeight: 522.5943

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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=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CC=C6

InChI

InChI=1S/C31H30N4O4/c36-23-12-13-25-24(17-23)21(18-32-25)16-27(31(38)39)34-30(37)20-11-14-28-26(15-20)33-29(19-7-3-1-4-8-19)35(28)22-9-5-2-6-10-22/h1,3-4,7-8,11-15,17-18,22,27,32,36H,2,5-6,9-10,16H2,(H,34,37)(H,38,39)/t27-/m0/s1