2-[2-(phenylmethylsulfanyl)ethylamino]propanoic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)ethylamino]propanoic acid Openeye Name: 2-(2-benzylsulfanylethylamino)propanoic acid CAS Name: 2-[2-(phenylmethylthio)ethylamino]propanoic acid IUPAC Name: 2-(2-benzylsulfanylethylamino)propanoic acid Traditional Name: 2-[2-(benzylthio)ethylamino]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCCSCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)NCCSCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-10(12(14)15)13-7-8-16-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H,14,15)