5-acetamido-4-oxidanyl-3-phenyl-2-sulfanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-4-oxidanyl-3-phenyl-2-sulfanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-4-hydroxy-3-phenyl-2-sulfanyl-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-2-mercapto-3-phenyl-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-3-phenyl-2-sulfanyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-4-hydroxy-2-mercapto-3-phenyl-6-(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(C(C(OC1C(C(CO)O)O)(C(=O)O)S)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

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