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

Systemtic Name: (2S)-2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonyl-propanoic acid Openeye Name: (2S)-3-(4-tert-butoxycarbonylpiperazin-1-yl)sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-2-methyl-3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: (2S)-2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylpropanoic acid Traditional Name: (2S)-3-(4-tert-butoxycarbonylpiperazino)sulfonyl-2-methyl-propionic acid Formula: C13H24N2O6S MolecularWeight: 336.40446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O6S/c1-10(11(16)17)9-22(19,20)15-7-5-14(6-8-15)12(18)21-13(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)/t10-/m1/s1