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

Systemtic Name: 4-methylsulfanyl-2-[3-(phenylsulfonyl)propanoylamino]butanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-(3-besylpropanoylamino)-4-(methylthio)butyric acid Formula: C14H19NO5S2 MolecularWeight: 345.43436

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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

CSCCC(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)