2-[phenylcarbonyl(2-sulfanylpropanoyl)amino]ethanoic acid

Systemtic Name: 2-[phenylcarbonyl(2-sulfanylpropanoyl)amino]ethanoic acid Openeye Name: 2-[benzoyl(2-sulfanylpropanoyl)amino]acetic acid CAS Name: 2-[benzoyl-(2-mercapto-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[benzoyl(2-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[benzoyl(2-mercaptopropanoyl)amino]acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-8(18)11(16)13(7-10(14)15)12(17)9-5-3-2-4-6-9/h2-6,8,18H,7H2,1H3,(H,14,15)