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

Systemtic Name: 2-(2-methylsulfanylethanoylamino)-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-methylsulfanylacetyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-[[2-(methylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[(2-methylsulfanylacetyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[2-(methylthio)acetyl]amino]butyric acid Formula: C8H15NO5S2 MolecularWeight: 269.3384

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSCC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C8H15NO5S2/c1-15-5-7(10)9-6(8(11)12)3-4-16(2,13)14/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)