1-[[(2S)-4-(7-chloranylquinolin-4-yl)oxy-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(2S)-4-(7-chloranylquinolin-4-yl)oxy-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-[(7-chloro-4-quinolyl)oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 1-[[[(2S)-4-[(7-chloro-4-quinolinyl)oxy]-1-[(2S)-2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(2S)-4-(7-chloroquinolin-4-yl)oxy-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: 1-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-4-[(7-chloro-4-quinolyl)oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C33H41ClN4O7 MolecularWeight: 641.15424

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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=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2CC(C[C@H]2C(=O)NC3(CC3C=C)C(=O)O)OC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C33H41ClN4O7/c1-5-20-17-33(20,30(41)42)37-28(39)25-16-22(44-26-13-14-35-24-15-21(34)11-12-23(24)26)18-38(25)29(40)27(19-9-7-6-8-10-19)36-31(43)45-32(2,3)4/h5,11-15,19-20,22,25,27H,1,6-10,16-18H2,2-4H3,(H,36,43)(H,37,39)(H,41,42)/t20?,22?,25-,27-,33?/m0/s1