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

Systemtic Name: 3-[(1-cyclohexyl-2-pyridin-2-yl-benzimidazol-5-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[[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(CC(=O)O)C4=CC=CC=C4)N=C2C5=CC=CC=N5

Isomeric SMILES

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

InChI

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