2-[3-(phenylcarbonylsulfanyl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(phenylcarbonylsulfanyl)propanoylamino]propanoic acid Openeye Name: 2-(3-benzoylsulfanylpropanoylamino)propanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-(3-benzoylsulfanylpropanoylamino)propanoic acid Traditional Name: 2-[3-(benzoylthio)propanoylamino]propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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