1-[[1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-isoquinolin-5-yloxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-isoquinolin-5-yloxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[[1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-(5-isoquinolyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 1-[[[1-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-4-(5-isoquinolinyloxy)-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-isoquinolin-5-yloxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: 1-[[1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-(5-isoquinolyloxy)prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C33H42N4O7 MolecularWeight: 606.70918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)O)OC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)O)OC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C33H42N4O7/c1-5-22-17-33(22,30(40)41)36-28(38)25-16-23(43-26-13-9-12-21-18-34-15-14-24(21)26)19-37(25)29(39)27(20-10-7-6-8-11-20)35-31(42)44-32(2,3)4/h5,9,12-15,18,20,22-23,25,27H,1,6-8,10-11,16-17,19H2,2-4H3,(H,35,42)(H,36,38)(H,40,41)