(E)-3-[4-[[1-[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-thiophen-2-yl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-thiophen-2-yl-benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-(2-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-thiophen-2-yl-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-thiophen-2-ylbenzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[1-[(2S,6S)-2,6-dimethylcyclohexyl]-2-(2-thienyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C35H38N4O4S MolecularWeight: 610.76562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC=C(C=C5)C=CC(=O)O)N=C2C6=CC=CS6)C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1N2C3=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)C

InChI

InChI=1S/C35H38N4O4S/c1-22-7-5-8-23(2)31(22)39-28-16-13-25(21-27(28)37-32(39)29-9-6-20-44-29)33(42)38-35(18-3-4-19-35)34(43)36-26-14-10-24(11-15-26)12-17-30(40)41/h6,9-17,20-23,31H,3-5,7-8,18-19H2,1-2H3,(H,36,43)(H,38,42)(H,40,41)/b17-12+/t22-,23-/m0/s1