methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(4-nitrophenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(4-nitrophenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-(4-nitrophenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(4-nitrophenyl)thio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(4-nitrophenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(4-nitrophenyl)thio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C26H32N2O14S MolecularWeight: 628.60228

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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)SC2=CC=C(C=C2)[N+](=O)[O-])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)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C26H32N2O14S/c1-13(29)27-22-20(39-15(3)31)11-26(25(34)37-6,43-19-9-7-18(8-10-19)28(35)36)42-24(22)23(41-17(5)33)21(40-16(4)32)12-38-14(2)30/h7-10,20-24H,11-12H2,1-6H3,(H,27,29)/t20-,21+,22+,23+,24+,26-/m0/s1