3-[methyl(2-phenylsulfanylethyl)amino]propanoic acid

Systemtic Name: 3-[methyl(2-phenylsulfanylethyl)amino]propanoic acid Openeye Name: 3-[methyl(2-phenylsulfanylethyl)amino]propanoic acid CAS Name: 3-[methyl-[2-(phenylthio)ethyl]amino]propanoic acid IUPAC Name: 3-[methyl(2-phenylsulfanylethyl)amino]propanoic acid Traditional Name: 3-[methyl-[2-(phenylthio)ethyl]amino]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)CCSC1=CC=CC=C1

Isomeric SMILES

CN(CCC(=O)O)CCSC1=CC=CC=C1

InChI

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