2-[1-ethanoyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethanoyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxidanylidene-piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-acetyl-3-[4-(tert-butoxycarbonylamino)butyl]-2-oxo-piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-acetyl-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-oxo-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-acetyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-2-oxopiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-acetyl-3-[4-(tert-butoxycarbonylamino)butyl]-2-keto-piperazin-1-ium-1-yl]acetic acid Formula: C17H30N3O6+ MolecularWeight: 372.4366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O6/c1-12(21)20(11-14(22)23)10-9-18-13(15(20)24)7-5-6-8-19-16(25)26-17(2,3)4/h13,18H,5-11H2,1-4H3,(H-,19,22,23,25)/p+1