4-methylsulfonyl-2-(2-phenylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(2-phenylsulfanylethanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-(phenylthio)acetyl]amino]butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C13H17NO5S2/c1-21(18,19)8-7-11(13(16)17)14-12(15)9-20-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)