(phenylmethyl) (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetyloxy-1-oxidanyl-propyl]-2-(4-nitrophenyl)sulfanyl-4-oxidanyl-oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetyloxy-1-oxidanyl-propyl]-2-(4-nitrophenyl)sulfanyl-4-oxidanyl-oxane-2-carboxylate Openeye Name: benzyl (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetoxy-1-hydroxy-propyl]-4-hydroxy-2-(4-nitrophenyl)sulfanyl-tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetyloxy-1-hydroxypropyl]-4-hydroxy-2-[(4-nitrophenyl)thio]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetyloxy-1-hydroxypropyl]-4-hydroxy-2-(4-nitrophenyl)sulfanyloxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2,3-diacetoxy-1-hydroxy-propyl]-4-hydroxy-2-[(4-nitrophenyl)thio]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C28H32N2O12S MolecularWeight: 620.62488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)O)(C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-])O

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)O)(C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C28H32N2O12S/c1-16(31)29-24-22(34)13-28(27(36)40-14-19-7-5-4-6-8-19,43-21-11-9-20(10-12-21)30(37)38)42-26(24)25(35)23(41-18(3)33)15-39-17(2)32/h4-12,22-26,34-35H,13-15H2,1-3H3,(H,29,31)/t22-,23+,24+,25+,26+,28-/m0/s1