tert-butyl 4-[4-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-carbamoylpyridin-1-ium-1-yl)-3-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]imidazole-1-carboxylate CAS Name: 4-[4-(3-carbamoyl-1-pyridin-1-iumyl)-3-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]butyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-carbamoylpyridin-1-ium-1-yl)-3-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]imidazole-1-carboxylate Traditional Name: 4-[4-(3-carbamoylpyridin-1-ium-1-yl)-3-keto-2-(pyroglutamoylamino)butyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C23H29N6O6+ MolecularWeight: 485.51296

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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(=O)N)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(=O)N)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)/p+1