1-[6-(2-aminocarbonylpyrrolidin-1-yl)-6-oxidanylidene-5-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]hexyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[6-(2-aminocarbonylpyrrolidin-1-yl)-6-oxidanylidene-5-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]hexyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[6-(2-carbamoylpyrrolidin-1-yl)-6-oxo-5-[(5-oxopyrrolidine-2-carbonyl)amino]hexyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[6-(2-carbamoyl-1-pyrrolidinyl)-6-oxo-5-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]hexyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[6-(2-carbamoylpyrrolidin-1-yl)-6-oxo-5-[(5-oxopyrrolidine-2-carbonyl)amino]hexyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[6-(2-carbamoylpyrrolidino)-6-keto-5-(pyroglutamoylamino)hexyl]pyridin-1-ium-3-carboxamide Formula: C22H31N6O5+ MolecularWeight: 459.51874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCC[N+]2=CC=CC(=C2)C(=O)N)NC(=O)C3CCC(=O)N3)C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCC[N+]2=CC=CC(=C2)C(=O)N)NC(=O)C3CCC(=O)N3)C(=O)N

InChI

InChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1