3-[2-(phenylmethylsulfanyl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethanoylamino]propanoic acid Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]propanoic acid CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]propanoic acid IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-[[2-(benzylthio)acetyl]amino]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c14-11(13-7-6-12(15)16)9-17-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)