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

Systemtic Name: 5-acetamido-4-oxidanyl-2-sulfanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-4-hydroxy-2-sulfanyl-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-2-mercapto-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-2-sulfanyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-4-hydroxy-2-mercapto-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C11H19NO8S MolecularWeight: 325.33546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO8S/c1-4(14)12-7-5(15)2-11(21,10(18)19)20-9(7)8(17)6(16)3-13/h5-9,13,15-17,21H,2-3H2,1H3,(H,12,14)(H,18,19)