2-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 2-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylmethyl]-3-oxo-cyclohexanecarboxylic acid CAS Name: 2-[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]methyl]-3-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylmethyl]-3-oxocyclohexane-1-carboxylic acid Traditional Name: 2-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]methyl]-3-keto-cyclohexanecarboxylic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1C(CCCC1=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCC1C(CCCC1=O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H19NO6S/c1-7(15)14-10(13(19)20)6-21-5-9-8(12(17)18)3-2-4-11(9)16/h8-10H,2-6H2,1H3,(H,14,15)(H,17,18)(H,19,20)