(2S)-3-methyl-2-[3-(phenylmethylsulfanyl)propylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-(phenylmethylsulfanyl)propylamino]butanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropylamino)-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[3-(phenylmethylthio)propylamino]butanoic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropylamino)-3-methylbutanoic acid Traditional Name: (2S)-2-[3-(benzylthio)propylamino]-3-methyl-butyric acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCCSCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NCCCSCC1=CC=CC=C1

InChI

InChI=1S/C15H23NO2S/c1-12(2)14(15(17)18)16-9-6-10-19-11-13-7-4-3-5-8-13/h3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,18)/t14-/m0/s1