methyl (2R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxytetracosanoyl]-methyl-amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-oxan-2-yl]methoxy]-5-[ethanoyl(methyl)amino]-4-sulfooxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxytetracosanoyl]-methyl-amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-oxan-2-yl]methoxy]-5-[ethanoyl(methyl)amino]-4-sulfooxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5S,6R)-5-[acetyl(methyl)amino]-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxytetracosanoyl]-methyl-amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-tetrahydropyran-2-yl]methoxy]-4-sulfooxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5S,6R)-5-[acetyl(methyl)amino]-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxy-1-oxotetracosyl]-methylamino]-14-methylhexadecoxy]-3,4,5-trimethoxy-2-oxanyl]methoxy]-4-sulfooxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5S,6R)-5-[acetyl(methyl)amino]-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxytetracosanoyl]-methylamino]-14-methylhexadecoxy]-3,4,5-trimethoxyoxan-2-yl]methoxy]-4-sulfooxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5S,6R)-5-[acetyl(methyl)amino]-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dimethoxy-2-[[(2R)-2-methoxytetracosanoyl]-methyl-amino]-14-methyl-hexadecoxy]-3,4,5-trimethoxy-tetrahydropyran-2-yl]methoxy]-4-sulfoxy-6-[(1S,2R)-1,2,3-trimethoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C70H134N2O21S MolecularWeight: 1371.87876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N(C)C(COC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(COC)OC)OC)N(C)C(=O)C)OS(=O)(=O)O)C(=O)OC)OC)OC)OC)C(C(CCCCCCCCCC(C)CC)OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N(C)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC)OC)OC)N(C)C(=O)C)OS(=O)(=O)O)C(=O)OC)OC)OC)OC)[C@@H]([C@@H](CCCCCCCCCC(C)CC)OC)OC)OC

InChI

InChI=1S/C70H134N2O21S/c1-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-41-44-47-56(81-9)67(74)72(6)54(61(83-11)55(80-8)46-43-40-38-35-36-39-42-45-52(3)18-2)49-89-68-66(87-15)65(86-14)63(85-13)59(91-68)51-90-70(69(75)88-16)48-57(93-94(76,77)78)60(71(5)53(4)73)64(92-70)62(84-12)58(82-10)50-79-7/h52,54-66,68H,17-51H2,1-16H3,(H,76,77,78)/t52?,54-,55+,56+,57-,58+,59+,60+,61-,62+,63+,64+,65-,66+,68+,70+/m0/s1