2-[methyl-[3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[3-benzoylsulfanylpropanoyl(methyl)amino]acetic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[3-benzoylsulfanylpropanoyl(methyl)amino]acetic acid Traditional Name: 2-[3-(benzoylthio)propanoyl-methyl-amino]acetic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-14(9-12(16)17)11(15)7-8-19-13(18)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,17)