tert-butyl (3S)-3-(tert-butylcarbamoyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-[(tert-butylamino)-oxomethyl]-4-[[(2S)-2-oxiranyl]methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(tert-butylcarbamoyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(tert-butylcarbamoyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H32N3O4+ MolecularWeight: 342.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CC[NH+]1CC2CO2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CC[NH+]1C[C@H]2CO2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H31N3O4/c1-16(2,3)18-14(21)13-10-20(15(22)24-17(4,5)6)8-7-19(13)9-12-11-23-12/h12-13H,7-11H2,1-6H3,(H,18,21)/p+1/t12-,13-/m0/s1