(2S,3S,4S,5R,6S)-6-(4-acetamido-2-methylsulfanyl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-(4-acetamido-2-methylsulfanyl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-(4-acetamido-2-methylsulfanyl-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[4-acetamido-2-(methylthio)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-(4-acetamido-2-methylsulfanylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[4-acetamido-2-(methylthio)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C15H19NO8S MolecularWeight: 373.37826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)SC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)SC

InChI

InChI=1S/C15H19NO8S/c1-6(17)16-7-3-4-8(9(5-7)25-2)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1