(1R)-1-[[(2S,4R)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1R)-1-[[(2S,4R)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S)-1-(cyclopropanecarbonyl)-2-methyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R)-1-[[[(2S,4R)-1-[(2S)-2-[[[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R)-1-[[(2S,4R)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S)-1-(cyclopropanecarbonyl)-2-methyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C42H55N7O8S MolecularWeight: 817.9932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1CC1)NC(=O)NC(C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)O)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)C1CC1)NC(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(CC3C=C)C(=O)O)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C)C(C)(C)C

InChI

InChI=1S/C42H55N7O8S/c1-10-24-18-42(24,38(53)54)48-36(51)31-16-26(19-49(31)37(52)35(41(6,7)8)47-39(55)46-33(21(2)3)34(50)23-11-12-23)57-32-17-29(30-20-58-40(45-30)43-22(4)5)44-28-15-25(56-9)13-14-27(28)32/h10,13-15,17,20-24,26,31,33,35H,1,11-12,16,18-19H2,2-9H3,(H,43,45)(H,48,51)(H,53,54)(H2,46,47,55)/t24?,26-,31+,33+,35-,42-/m1/s1