(E)-3-[4-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-tert-butoxycarbonyl-4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-tert-butoxycarbonyl-4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]isonipecotoyl]amino]phenyl]acrylic acid Formula: C38H43N5O7 MolecularWeight: 681.77732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CC=C(C=C2)C=CC(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CC=C(C=C2)/C=C/C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

InChI

InChI=1S/C38H43N5O7/c1-37(2,3)50-36(48)42-20-18-38(19-21-42,35(47)39-28-13-9-25(10-14-28)11-16-32(44)45)41-34(46)26-12-15-31-30(23-26)40-33(27-17-22-49-24-27)43(31)29-7-5-4-6-8-29/h9-17,22-24,29H,4-8,18-21H2,1-3H3,(H,39,47)(H,41,46)(H,44,45)/b16-11+