2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioic acid

Systemtic Name: 2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioic acid Openeye Name: 2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioic acid CAS Name: 2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]pentanedioic acid IUPAC Name: 2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]pentanedioic acid Traditional Name: 2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]glutaric acid Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)NC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C14H15NO6S/c16-10(17)7-6-9(14(20)21)15-13(19)12(22)11(18)8-4-2-1-3-5-8/h1-5,9,12,22H,6-7H2,(H,15,19)(H,16,17)(H,20,21)