[7-[[(E)-3-[3,5-dimethoxy-4-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]carbonyloxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate

Systemtic Name: [7-[[(E)-3-[3,5-dimethoxy-4-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]carbonyloxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate Openeye Name: [7-[[(E)-3-[3,5-dimethoxy-4-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxo-4-quinolyl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanecarboxylic acid [7-[[(E)-3-[3,5-dimethoxy-4-[oxo-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-oxanyl]methoxy]phenyl]-1-oxoprop-2-enyl]amino]-1-methyl-3-octoxy-2-oxo-4-quinolinyl] ester IUPAC Name: [7-[[(E)-3-[3,5-dimethoxy-4-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carbonyl]oxyphenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxoquinolin-4-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid [7-[[(E)-3-[3,5-dimethoxy-4-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carbonyl]oxy-phenyl]acryloyl]amino]-2-keto-1-methyl-3-octoxy-4-quinolyl] ester Formula: C41H52N2O19 MolecularWeight: 876.85358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC(=O)C4C(C(C(C(O4)O)O)O)O)OC)N(C1=O)C)OC(=O)C5C(C(C(C(O5)O)O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC(=O)[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O)O)O)O)OC)N(C1=O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O)O)O)O

InChI

InChI=1S/C41H52N2O19/c1-5-6-7-8-9-10-15-58-36-32(59-40(54)34-28(47)26(45)30(49)38(52)61-34)21-13-12-20(18-22(21)43(2)37(36)51)42-25(44)14-11-19-16-23(56-3)33(24(17-19)57-4)60-41(55)35-29(48)27(46)31(50)39(53)62-35/h11-14,16-18,26-31,34-35,38-39,45-50,52-53H,5-10,15H2,1-4H3,(H,42,44)/b14-11+/t26-,27-,28-,29-,30+,31+,34-,35-,38-,39-/m0/s1