(2S)-2-azaniumyl-3-methyl-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: (2S)-2-azaniumyl-3-methyl-3-(phenylmethylsulfanyl)butanoate Openeye Name: (2S)-2-azaniumyl-3-benzylsulfanyl-3-methyl-butanoate CAS Name: (2S)-2-ammonio-3-methyl-3-(phenylmethylthio)butanoate IUPAC Name: (2S)-2-azaniumyl-3-benzylsulfanyl-3-methylbutanoate Traditional Name: (2S)-2-ammonio-3-(benzylthio)-3-methyl-butyrate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[O-])[NH3+])SCC1=CC=CC=C1

Isomeric SMILES

CC(C)([C@H](C(=O)[O-])[NH3+])SCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-12(2,10(13)11(14)15)16-8-9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H,14,15)/t10-/m0/s1