3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-mesyl-3-methyl-piperazine-2-carboxylic acid Formula: C12H22N2O6S MolecularWeight: 322.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C12H22N2O6S/c1-8-9(10(15)16)13(11(17)20-12(2,3)4)6-7-14(8)21(5,18)19/h8-9H,6-7H2,1-5H3,(H,15,16)