(2S)-4-methylsulfanyl-2-[4-(phenylmethylsulfanyl)butylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[4-(phenylmethylsulfanyl)butylamino]butanoic acid Openeye Name: (2S)-2-(4-benzylsulfanylbutylamino)-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[4-(phenylmethylthio)butylamino]butanoic acid IUPAC Name: (2S)-2-(4-benzylsulfanylbutylamino)-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[4-(benzylthio)butylamino]-4-(methylthio)butyric acid Formula: C16H25NO2S2 MolecularWeight: 327.5052

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCCCCSCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCCCCSCC1=CC=CC=C1

InChI

InChI=1S/C16H25NO2S2/c1-20-12-9-15(16(18)19)17-10-5-6-11-21-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,19)/t15-/m0/s1