2-[1-ethanoyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethanoyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-acetyl-3-[3-(tert-butoxycarbonylamino)propyl]-2-oxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-acetyl-3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-2-oxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-acetyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-acetyl-3-[3-(tert-butoxycarbonylamino)propyl]-2-keto-piperazin-1-ium-1-yl]acetic acid Formula: C16H28N3O6+ MolecularWeight: 358.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCNC(C1=O)CCCNC(=O)OC(C)(C)C)CC(=O)O

Isomeric SMILES

CC(=O)[N+]1(CCNC(C1=O)CCCNC(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C16H27N3O6/c1-11(20)19(10-13(21)22)9-8-17-12(14(19)23)6-5-7-18-15(24)25-16(2,3)4/h12,17H,5-10H2,1-4H3,(H-,18,21,22,24)/p+1