(E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-pyridin-2-yl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-pyridin-2-yl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[1-[(1R,2R)-2-methylcyclohexyl]-2-(2-pyridinyl)-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C35H37N5O4 MolecularWeight: 591.69938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)C=CC(=O)O)N=C2C6=CC=CC=N6

Isomeric SMILES

C[C@@H]1CCCC[C@H]1N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)/C=C/C(=O)O)N=C2C6=CC=CC=N6

InChI

InChI=1S/C35H37N5O4/c1-23-8-2-3-10-29(23)40-30-17-14-25(22-28(30)38-32(40)27-9-4-7-21-36-27)33(43)39-35(19-5-6-20-35)34(44)37-26-15-11-24(12-16-26)13-18-31(41)42/h4,7,9,11-18,21-23,29H,2-3,5-6,8,10,19-20H2,1H3,(H,37,44)(H,39,43)(H,41,42)/b18-13+/t23-,29-/m1/s1