3-oxidanylidene-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-oxidanylidene-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-oxo-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(2-mercapto-1-oxopropyl)amino]-3-oxo-3-phenylpropanoic acid IUPAC Name: 3-oxo-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid Traditional Name: 3-keto-2-(2-mercaptopropanoylamino)-3-phenyl-propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-7(18)11(15)13-9(12(16)17)10(14)8-5-3-2-4-6-8/h2-7,9,18H,1H3,(H,13,15)(H,16,17)