(2S)-4-methylsulfanyl-2-[3-(phenylsulfonyl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(phenylsulfonyl)propanoylamino]butanoate Openeye Name: (2S)-2-[3-(benzenesulfonyl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-(benzenesulfonyl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(3-besylpropanoylamino)-4-(methylthio)butyrate Formula: C14H18NO5S2- MolecularWeight: 344.42642

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S2/c1-21-9-7-12(14(17)18)15-13(16)8-10-22(19,20)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1