4-methylsulfanyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid CAS Name: 2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-mesylisonipecotoyl)amino]-4-(methylthio)butyric acid Formula: C12H22N2O5S2 MolecularWeight: 338.44348

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C

InChI

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