(2S,4S,5R,6R)-5-acetamido-4-oxidanyl-2-phenylsulfanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-4-oxidanyl-2-phenylsulfanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-phenylsulfanyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(phenylthio)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-phenylsulfanyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(phenylthio)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C17H23NO8S MolecularWeight: 401.43142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)SC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SC2=CC=CC=C2)O

InChI

InChI=1S/C17H23NO8S/c1-9(20)18-13-11(21)7-17(16(24)25,27-10-5-3-2-4-6-10)26-15(13)14(23)12(22)8-19/h2-6,11-15,19,21-23H,7-8H2,1H3,(H,18,20)(H,24,25)/t11-,12+,13+,14+,15+,17-/m0/s1