(1R,2S)-1-[[(2S,4R)-4-[2-(1,3-benzodioxol-5-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-1-[[(2S,4R)-4-[2-(1,3-benzodioxol-5-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S,4R)-4-[[2-(1,3-benzodioxol-5-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S,4R)-4-[[2-(1,3-benzodioxol-5-yl)-7-methoxy-4-quinolinyl]oxy]-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-1-[[(2S,4R)-4-[2-(1,3-benzodioxol-5-yl)-7-methoxyquinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S,4R)-4-[[2-(1,3-benzodioxol-5-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3-methyl-butanoyl]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C39H44N4O10 MolecularWeight: 728.78746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC6=C(C=C5)OCO6)NC(=O)OC7CCCC7

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC6=C(C=C5)OCO6)NC(=O)OC7CCCC7

InChI

InChI=1S/C39H44N4O10/c1-5-23-18-39(23,37(46)47)42-35(44)30-16-26(19-43(30)36(45)34(21(2)3)41-38(48)53-24-8-6-7-9-24)52-32-17-28(22-10-13-31-33(14-22)51-20-50-31)40-29-15-25(49-4)11-12-27(29)32/h5,10-15,17,21,23-24,26,30,34H,1,6-9,16,18-20H2,2-4H3,(H,41,48)(H,42,44)(H,46,47)/t23-,26-,30+,34+,39-/m1/s1