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

Systemtic Name: 3-methyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: 2-[(1-mesylisonipecotoyl)amino]-3-methyl-butyric acid Formula: C12H22N2O5S MolecularWeight: 306.37848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O5S/c1-8(2)10(12(16)17)13-11(15)9-4-6-14(7-5-9)20(3,18)19/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)