[(1S,2S)-1-[[(2S,4R)-4-[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropyl]phosphonic acid

Systemtic Name: [(1S,2S)-1-[[(2S,4R)-4-[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropyl]phosphonic acid Openeye Name: [(1S,2S)-1-[[(2S,4R)-4-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropyl]phosphonic acid CAS Name: [(1S,2S)-1-[[[(2S,4R)-4-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxy-4-quinolinyl]oxy]-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenylcyclopropyl]phosphonic acid IUPAC Name: [(1S,2S)-1-[[(2S,4R)-4-[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxyquinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropyl]phosphonic acid Traditional Name: [(1S,2S)-1-[[(2S,4R)-4-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]prolyl]amino]-2-vinyl-cyclopropyl]phosphonic acid Formula: C37H48N7O10P MolecularWeight: 781.791681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(N1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1=NC=C(N1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)P(=O)(O)O

InChI

InChI=1S/C37H48N7O10P/c1-7-21-17-37(21,55(49,50)51)43-32(46)29-15-24(19-44(29)33(47)31(36(3,4)5)42-35(48)54-22-10-8-9-11-22)53-30-16-27(28-18-38-34(41-28)39-20(2)45)40-26-14-23(52-6)12-13-25(26)30/h7,12-14,16,18,21-22,24,29,31H,1,8-11,15,17,19H2,2-6H3,(H,42,48)(H,43,46)(H2,49,50,51)(H2,38,39,41,45)/t21-,24-,29+,31-,37+/m1/s1