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

Systemtic Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N=C2C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)N=C2C5=CC=CC=N5

InChI

InChI=1S/C28H28N4O3/c33-27(31-24(28(34)35)17-19-9-3-1-4-10-19)20-14-15-25-23(18-20)30-26(22-13-7-8-16-29-22)32(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-16,18,21,24H,2,5-6,11-12,17H2,(H,31,33)(H,34,35)/t24-/m0/s1