3-(phenylmethylsulfanyl)-2-(propanoylamino)propanoate

Systemtic Name: 3-(phenylmethylsulfanyl)-2-(propanoylamino)propanoate Openeye Name: 3-benzylsulfanyl-2-(propanoylamino)propanoate CAS Name: 2-(1-oxopropylamino)-3-(phenylmethylthio)propanoate IUPAC Name: 3-benzylsulfanyl-2-(propanoylamino)propanoate Traditional Name: 3-(benzylthio)-2-propionamido-propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H17NO3S/c1-2-12(15)14-11(13(16)17)9-18-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)(H,16,17)/p-1