2-[methyl-(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioate

Systemtic Name: 2-[methyl-(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioate Openeye Name: 2-[methyl-(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]pentanedioate CAS Name: 2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)-methylamino]pentanedioate IUPAC Name: 2-[methyl-(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]pentanedioate Traditional Name: 2-[(3-keto-2-mercapto-3-phenyl-propanoyl)-methyl-amino]glutarate Formula: C15H15NO6S-2 MolecularWeight: 337.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC(=O)[O-])C(=O)[O-])C(=O)C(C(=O)C1=CC=CC=C1)S

Isomeric SMILES

CN(C(CCC(=O)[O-])C(=O)[O-])C(=O)C(C(=O)C1=CC=CC=C1)S

InChI

InChI=1S/C15H17NO6S/c1-16(10(15(21)22)7-8-11(17)18)14(20)13(23)12(19)9-5-3-2-4-6-9/h2-6,10,13,23H,7-8H2,1H3,(H,17,18)(H,21,22)/p-2