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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)N[C@@H](CCSC)C(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S2/c1-11(21-10-12-6-4-3-5-7-12)14(17)16-13(15(18)19)8-9-20-2/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t11?,13-/m0/s1