2-[(phenylmethyl)-(3-sulfanylpropanoyl)amino]ethanoic acid

Systemtic Name: 2-[(phenylmethyl)-(3-sulfanylpropanoyl)amino]ethanoic acid Openeye Name: 2-[benzyl(3-sulfanylpropanoyl)amino]acetic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl(3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[benzyl(3-mercaptopropanoyl)amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)O)C(=O)CCS

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)O)C(=O)CCS

InChI

InChI=1S/C12H15NO3S/c14-11(6-7-17)13(9-12(15)16)8-10-4-2-1-3-5-10/h1-5,17H,6-9H2,(H,15,16)