[[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-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-cyclopropyl]-(2-methylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2-methylpropyl carbonate

Systemtic Name: [[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-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-cyclopropyl]-(2-methylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2-methylpropyl carbonate Openeye Name: [[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropyl]-(isobutoxycarbonyloxymethoxy)phosphoryl]oxymethyl isobutyl carbonate CAS Name: carbonic acid [[(1S,2S)-1-[[[(2S,4R)-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenylcyclopropyl]-[[2-methylpropoxy(oxo)methoxy]methoxy]phosphoryl]oxymethyl 2-methylpropyl ester IUPAC Name: [[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropyl]-(2-methylpropoxycarbonyloxymethoxy)phosphoryl]oxymethyl 2-methylpropyl carbonate Traditional Name: carbonic acid [[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropyl]-(isobutoxycarbonyloxymethoxy)phosphoryl]oxymethyl isobutyl ester Formula: C50H71N6O15PS MolecularWeight: 1059.168701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OCOP(=O)(C1(CC1C=C)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)OC3CCCC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C)OCOC(=O)OCC(C)C

Isomeric SMILES

CC(C)COC(=O)OCOP(=O)([C@]1(C[C@H]1C=C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC3CCCC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C)OCOC(=O)OCC(C)C

InChI

InChI=1S/C50H71N6O15PS/c1-12-32-22-50(32,72(62,68-27-66-47(60)64-24-29(2)3)69-28-67-48(61)65-25-30(4)5)55-43(57)40-20-35(23-56(40)44(58)42(49(8,9)10)54-46(59)71-33-15-13-14-16-33)70-41-21-38(39-26-73-45(53-39)51-31(6)7)52-37-19-34(63-11)17-18-36(37)41/h12,17-19,21,26,29-33,35,40,42H,1,13-16,20,22-25,27-28H2,2-11H3,(H,51,53)(H,54,59)(H,55,57)/t32-,35-,40+,42-,50+/m1/s1