(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclobutyloxycarbonylamino)-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-(cyclobutyloxycarbonylamino)-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-(cyclobutoxycarbonylamino)-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-[[cyclobutyloxy(oxo)methyl]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-(cyclobutyloxycarbonylamino)-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-(cyclobutoxycarbonylamino)-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: C42H54N6O9S MolecularWeight: 818.97796

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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)OC4CCC4)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)OC4CCC4)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/C42H54N6O9S/c1-10-23-18-42(23,37(52)53)47-35(50)29-16-25(20-48(29)36(51)34(41(6,7)8)46-39(54)57-24-12-11-13-24)56-31-17-27(43-33-22(2)30(55-9)15-14-26(31)33)28-21-58-38(44-28)45-32(49)19-40(3,4)5/h10,14-15,17,21,23-25,29,34H,1,11-13,16,18-20H2,2-9H3,(H,46,54)(H,47,50)(H,52,53)(H,44,45,49)/t23-,25-,29+,34-,42-/m1/s1