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

Systemtic Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-[(1R,2R)-2-methylcyclohexyl]benzimidazol-5-yl]carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-[(1R,2R)-2-methylcyclohexyl]benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[[2-(1,3-benzodioxol-4-yl)-1-[(1R,2R)-2-methylcyclohexyl]-5-benzimidazolyl]-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-[(1R,2R)-2-methylcyclohexyl]benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[[2-(1,3-benzodioxol-4-yl)-1-[(1R,2R)-2-methylcyclohexyl]benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C37H38N4O6 MolecularWeight: 634.72082

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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=C7C(=CC=C6)OCO7

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=C7C(=CC=C6)OCO7

InChI

InChI=1S/C37H38N4O6/c1-23-7-2-3-9-29(23)41-30-17-14-25(21-28(30)39-34(41)27-8-6-10-31-33(27)47-22-46-31)35(44)40-37(19-4-5-20-37)36(45)38-26-15-11-24(12-16-26)13-18-32(42)43/h6,8,10-18,21,23,29H,2-5,7,9,19-20,22H2,1H3,(H,38,45)(H,40,44)(H,42,43)/b18-13+/t23-,29-/m1/s1