(2S)-3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: (2S)-3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: (2S)-3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-3-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: (2S)-3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: (2S)-2-methyl-3-(4-pivaloylpiperazino)sulfonyl-propionic acid Formula: C13H24N2O5S MolecularWeight: 320.40506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C13H24N2O5S/c1-10(11(16)17)9-21(19,20)15-7-5-14(6-8-15)12(18)13(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)/t10-/m1/s1