2-ethenyl-1-[[4-isoquinolin-1-yloxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 2-ethenyl-1-[[4-isoquinolin-1-yloxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]pyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[1-[2-(tert-butoxycarbonylamino)non-8-enoyl]-4-(1-isoquinolyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 2-ethenyl-1-[[[4-(1-isoquinolinyloxy)-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxonon-8-enyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 2-ethenyl-1-[[4-isoquinolin-1-yloxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[1-[2-(tert-butoxycarbonylamino)non-8-enoyl]-4-(1-isoquinolyloxy)prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C34H44N4O7 MolecularWeight: 620.73576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCC=C)C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)OC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCCC=C)C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)OC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C34H44N4O7/c1-6-8-9-10-11-16-26(36-32(43)45-33(3,4)5)30(40)38-21-24(44-29-25-15-13-12-14-22(25)17-18-35-29)19-27(38)28(39)37-34(31(41)42)20-23(34)7-2/h6-7,12-15,17-18,23-24,26-27H,1-2,8-11,16,19-21H2,3-5H3,(H,36,43)(H,37,39)(H,41,42)