1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-2-oxidanylidene-3-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butyl]pyridin-1-ium-3-carboximidate

Systemtic Name: 1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-2-oxidanylidene-3-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butyl]pyridin-1-ium-3-carboximidate Openeye Name: 1-[4-(1-tert-butoxycarbonylimidazol-4-yl)-2-oxo-3-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]pyridin-1-ium-3-carboximidate CAS Name: 1-[4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]-2-oxo-3-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]butyl]-3-pyridin-1-iumcarboximidate IUPAC Name: 1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-2-oxo-3-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]pyridin-1-ium-3-carboximidate Traditional Name: 1-[4-(1-tert-butoxycarbonylimidazol-4-yl)-2-keto-3-(pyroglutamoylamino)butyl]pyridin-1-ium-3-carboximidate Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)C[N+]2=CC=CC(=C2)C(=N)[O-])NC(=O)C3CCC(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)C[N+]2=CC=CC(=C2)C(=N)[O-])NC(=O)C3CCC(=O)N3

InChI

InChI=1S/C23H28N6O6/c1-23(2,3)35-22(34)29-11-15(25-13-29)9-17(27-21(33)16-6-7-19(31)26-16)18(30)12-28-8-4-5-14(10-28)20(24)32/h4-5,8,10-11,13,16-17H,6-7,9,12H2,1-3H3,(H3-,24,26,27,31,32,33)