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

Systemtic Name: 3-methyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: 2-[(1-mesylisonipecotoyl)amino]-3-methyl-valeric acid Formula: C13H24N2O5S MolecularWeight: 320.40506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O5S/c1-4-9(2)11(13(17)18)14-12(16)10-5-7-15(8-6-10)21(3,19)20/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)