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

Systemtic Name: (phenylmethyl) (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2-(4-nitrophenyl)sulfanyl-4-oxidanyl-oxane-2-carboxylate Openeye Name: benzyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxy-propyl]-4-hydroxy-2-(4-nitrophenyl)sulfanyl-tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[(4-nitrophenyl)thio]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-(4-nitrophenyl)sulfanyloxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxy-propyl]-4-hydroxy-2-[(4-nitrophenyl)thio]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C26H30N2O11S MolecularWeight: 578.5882

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H30N2O11S/c1-15(29)27-22-20(31)12-26(25(34)38-13-17-6-4-3-5-7-17,40-19-10-8-18(9-11-19)28(35)36)39-24(22)23(33)21(32)14-37-16(2)30/h3-11,20-24,31-33H,12-14H2,1-2H3,(H,27,29)/t20-,21+,22+,23+,24+,26-/m0/s1