1-[2-(ethylsulfonylamino)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(ethylsulfonylamino)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(ethylsulfonylamino)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(ethylsulfonylamino)-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(esylamino)-4-(methylthio)butanoyl]proline Formula: C12H22N2O5S2 MolecularWeight: 338.44348

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CCSC)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC(CCSC)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C12H22N2O5S2/c1-3-21(18,19)13-9(6-8-20-2)11(15)14-7-4-5-10(14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)