(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2-(4-aminophenyl)sulfanyl-4-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2-(4-aminophenyl)sulfanyl-4-oxidanyl-oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxy-propyl]-2-(4-aminophenyl)sulfanyl-4-hydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-[(4-aminophenyl)thio]-4-hydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-(4-aminophenyl)sulfanyl-4-hydroxyoxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxy-propyl]-2-[(4-aminophenyl)thio]-4-hydroxy-tetrahydropyran-2-carboxylic acid Formula: C19H26N2O9S MolecularWeight: 458.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)O)SC2=CC=C(C=C2)N)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)O)SC2=CC=C(C=C2)N)O

InChI

InChI=1S/C19H26N2O9S/c1-9(22)21-15-13(24)7-19(18(27)28,31-12-5-3-11(20)4-6-12)30-17(15)16(26)14(25)8-29-10(2)23/h3-6,13-17,24-26H,7-8,20H2,1-2H3,(H,21,22)(H,27,28)/t13-,14+,15+,16+,17+,19-/m0/s1