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

Systemtic Name: (1R,2S)-1-[[(2S)-1-[(2S)-2-(cyclohexyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[2-[2-(cyclopentyloxycarbonylamino)-1,3-thiazol-4-yl]-7-methoxy-quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S)-1-[(2S)-2-(cyclohexoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(cyclopentoxycarbonylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S)-1-[(2S)-2-[[cyclohexyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[2-[2-[[cyclopentyloxy(oxo)methyl]amino]-4-thiazolyl]-7-methoxy-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-1-[[(2S)-1-[(2S)-2-(cyclohexyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[2-[2-(cyclopentyloxycarbonylamino)-1,3-thiazol-4-yl]-7-methoxyquinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S)-1-[(2S)-2-(cyclohexoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(cyclopentoxycarbonylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C43H54N6O10S MolecularWeight: 846.98806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC(=O)OC6CCCC6)NC(=O)OC7CCCCC7

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1CC(C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC(=O)OC6CCCC6)NC(=O)OC7CCCCC7

InChI

InChI=1S/C43H54N6O10S/c1-6-24-21-43(24,38(52)53)48-36(50)33-19-28(22-49(33)37(51)35(42(2,3)4)46-40(54)58-25-12-8-7-9-13-25)57-34-20-31(44-30-18-27(56-5)16-17-29(30)34)32-23-60-39(45-32)47-41(55)59-26-14-10-11-15-26/h6,16-18,20,23-26,28,33,35H,1,7-15,19,21-22H2,2-5H3,(H,46,54)(H,48,50)(H,52,53)(H,45,47,55)/t24-,28?,33+,35-,43-/m1/s1