methyl (2S,4S,5R,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-methylsulfanyl-oxan-2-yl]-1,3-diacetyloxy-propan-2-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-methylsulfanyl-oxan-2-yl]-1,3-diacetyloxy-propan-2-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(1R,2S)-2-[(2R,3R,4S,6R)-3-acetamido-4-acetoxy-6-methoxycarbonyl-6-methylsulfanyl-tetrahydropyran-2-yl]-2-acetoxy-1-(acetoxymethyl)ethoxy]-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-(methylthio)-2-oxanyl]-1,3-diacetyloxypropan-2-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-methylsulfanyloxan-2-yl]-1,3-diacetyloxypropan-2-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(1R,2S)-2-[(2R,3R,4S,6R)-3-acetamido-4-acetoxy-6-carbomethoxy-6-(methylthio)tetrahydropyran-2-yl]-2-acetoxy-1-(acetoxymethyl)ethoxy]-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C39H56N2O23S MolecularWeight: 952.92654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(COC(=O)C)C(C2C(C(CC(O2)(C(=O)OC)SC)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O[C@H](COC(=O)C)[C@H]([C@H]2[C@@H]([C@H](C[C@](O2)(C(=O)OC)SC)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H56N2O23S/c1-17(42)40-30-26(57-21(5)46)13-38(36(51)53-10,63-34(30)32(60-24(8)49)28(59-23(7)48)15-55-19(3)44)62-29(16-56-20(4)45)33(61-25(9)50)35-31(41-18(2)43)27(58-22(6)47)14-39(64-35,65-12)37(52)54-11/h26-35H,13-16H2,1-12H3,(H,40,42)(H,41,43)/t26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38+,39+/m0/s1