tert-butyl 2-[[3-(3-aminocarbonylpyridin-1-ium-1-yl)-1-(2-aminocarbonylpyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-(3-aminocarbonylpyridin-1-ium-1-yl)-1-(2-aminocarbonylpyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[1-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-2-(2-carbamoylpyrrolidin-1-yl)-2-oxo-ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate CAS Name: 2-[[[3-(3-carbamoyl-1-pyridin-1-iumyl)-1-(2-carbamoyl-1-pyrrolidinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-5-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(3-carbamoylpyridin-1-ium-1-yl)-1-(2-carbamoylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate Traditional Name: 2-[[1-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-2-(2-carbamoylpyrrolidino)-2-keto-ethyl]carbamoyl]-5-keto-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H33N6O7+ MolecularWeight: 517.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)NC(C[N+]2=CC=CC(=C2)C(=O)N)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)NC(C[N+]2=CC=CC(=C2)C(=O)N)C(=O)N3CCCC3C(=O)N

InChI

InChI=1S/C24H32N6O7/c1-24(2,3)37-23(36)30-17(8-9-18(30)31)21(34)27-15(13-28-10-4-6-14(12-28)19(25)32)22(35)29-11-5-7-16(29)20(26)33/h4,6,10,12,15-17H,5,7-9,11,13H2,1-3H3,(H4-,25,26,27,32,33,34)/p+1