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

Systemtic Name: 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxidanylidene-3-propanoyl-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[3-(tert-butoxycarbonylamino)propyl]-2-oxo-3-propanoyl-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-2-oxo-3-(1-oxopropyl)-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxo-3-propanoylpiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[3-(tert-butoxycarbonylamino)propyl]-2-keto-3-propionyl-piperazin-1-ium-1-yl]acetic acid Formula: C17H30N3O6+ MolecularWeight: 372.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)[N+](CCN1)(CCCNC(=O)OC(C)(C)C)CC(=O)O

Isomeric SMILES

CCC(=O)C1C(=O)[N+](CCN1)(CCCNC(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C17H29N3O6/c1-5-12(21)14-15(24)20(10-8-18-14,11-13(22)23)9-6-7-19-16(25)26-17(2,3)4/h14,18H,5-11H2,1-4H3,(H-,19,22,23,25)/p+1