(2S)-4-methylsulfanyl-2-[3-(phenylmethylsulfanyl)propanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(phenylmethylsulfanyl)propanoylamino]butanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(phenylmethylthio)propyl]amino]butanoic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[3-(benzylthio)propanoylamino]-4-(methylthio)butyric acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCSCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCSCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S2/c1-20-9-7-13(15(18)19)16-14(17)8-10-21-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1