(2S)-2-azaniumyl-2-methyl-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: (2S)-2-azaniumyl-2-methyl-4-(phenylmethylsulfanyl)butanoate Openeye Name: (2S)-2-azaniumyl-4-benzylsulfanyl-2-methyl-butanoate CAS Name: (2S)-2-ammonio-2-methyl-4-(phenylmethylthio)butanoate IUPAC Name: (2S)-2-azaniumyl-4-benzylsulfanyl-2-methylbutanoate Traditional Name: (2S)-2-ammonio-4-(benzylthio)-2-methyl-butyrate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC1=CC=CC=C1)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CCSCC1=CC=CC=C1)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO2S/c1-12(13,11(14)15)7-8-16-9-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3,(H,14,15)/t12-/m0/s1