(E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-thiophen-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-thiophen-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-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[1-[(1R,2R)-2-methylcyclohexyl]-2-thiophen-2-yl-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[1-[(1R,2R)-2-methylcyclohexyl]-2-thiophen-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-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C34H36N4O4S MolecularWeight: 596.73904

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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=CS6

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=CS6

InChI

InChI=1S/C34H36N4O4S/c1-22-7-2-3-8-27(22)38-28-16-13-24(21-26(28)36-31(38)29-9-6-20-43-29)32(41)37-34(18-4-5-19-34)33(42)35-25-14-10-23(11-15-25)12-17-30(39)40/h6,9-17,20-22,27H,2-5,7-8,18-19H2,1H3,(H,35,42)(H,37,41)(H,39,40)/b17-12+/t22-,27-/m1/s1