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

Systemtic Name: 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxidanylidene-3-propanoyl-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[3-(tert-butoxycarbonylamino)butyl]-2-oxo-3-propanoyl-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-oxo-3-(1-oxopropyl)-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxo-3-propanoylpiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[3-(tert-butoxycarbonylamino)butyl]-2-keto-3-propionyl-piperazin-1-ium-1-yl]acetic acid Formula: C18H32N3O6+ MolecularWeight: 386.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O6/c1-6-13(22)15-16(25)21(10-8-19-15,11-14(23)24)9-7-12(2)20-17(26)27-18(3,4)5/h12,15,19H,6-11H2,1-5H3,(H-,20,23,24,26)/p+1