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

Systemtic Name: 2-[(2-methyl-3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-methyl-3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-mercapto-2-methyl-1,3-dioxo-3-phenylpropyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-methyl-3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-2-mercapto-2-methyl-3-phenyl-propanoyl)amino]-3-phenyl-propionic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C19H19NO4S/c1-19(25,16(21)14-10-6-3-7-11-14)18(24)20-15(17(22)23)12-13-8-4-2-5-9-13/h2-11,15,25H,12H2,1H3,(H,20,24)(H,22,23)