(2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)C5CCCCC5)OC

InChI

InChI=1S/C29H30N4O5/c1-37-24-14-12-18(17-25(24)38-2)26(29(35)36)32-28(34)19-11-13-23-22(16-19)31-27(21-10-6-7-15-30-21)33(23)20-8-4-3-5-9-20/h6-7,10-17,20,26H,3-5,8-9H2,1-2H3,(H,32,34)(H,35,36)/t26-/m0/s1