3-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(4-mesylpiperazino)ethyl]amino]-3-methyl-butyric acid Formula: C12H23N3O5S MolecularWeight: 321.39312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)N1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)N1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C12H23N3O5S/c1-9(2)11(12(17)18)13-8-10(16)14-4-6-15(7-5-14)21(3,19)20/h9,11,13H,4-8H2,1-3H3,(H,17,18)