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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-2-(5-oxidanyl-1H-indol-3-yl)ethanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-2-(5-hydroxy-1H-indol-3-yl)acetic acid Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CC=N6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](C4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=CC=CC=N6

InChI

InChI=1S/C29H27N5O4/c35-19-10-11-22-20(15-19)21(16-31-22)26(29(37)38)33-28(36)17-9-12-25-24(14-17)32-27(23-8-4-5-13-30-23)34(25)18-6-2-1-3-7-18/h4-5,8-16,18,26,31,35H,1-3,6-7H2,(H,33,36)(H,37,38)/t26-/m0/s1