(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-7-methoxy-8-methyl-quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-7-methoxy-8-methyl-quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]-7-methoxy-8-methyl-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S,4R)-1-[(2S)-2-[[(cyclopentylamino)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[2-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-thiazolyl]-7-methoxy-8-methyl-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3,3-dimethylbutanoyl]-4-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-7-methoxy-8-methylquinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]-7-methoxy-8-methyl-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C43H57N7O8S MolecularWeight: 832.01978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)NC4CCCC4)C(=O)NC5(CC5C=C)C(=O)O)C6=CSC(=N6)NC(=O)CC(C)(C)C)OC

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)NC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O)C6=CSC(=N6)NC(=O)CC(C)(C)C)OC

InChI

InChI=1S/C43H57N7O8S/c1-10-24-19-43(24,38(54)55)49-36(52)30-17-26(21-50(30)37(53)35(42(6,7)8)48-39(56)44-25-13-11-12-14-25)58-32-18-28(45-34-23(2)31(57-9)16-15-27(32)34)29-22-59-40(46-29)47-33(51)20-41(3,4)5/h10,15-16,18,22,24-26,30,35H,1,11-14,17,19-21H2,2-9H3,(H,49,52)(H,54,55)(H2,44,48,56)(H,46,47,51)/t24-,26-,30+,35-,43-/m1/s1