1-[5-(2-aminocarbonylpyrrolidin-1-yl)-5-oxidanylidene-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[5-(2-aminocarbonylpyrrolidin-1-yl)-5-oxidanylidene-4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[5-(2-carbamoylpyrrolidin-1-yl)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[5-(2-carbamoyl-1-pyrrolidinyl)-5-oxo-4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[5-(2-carbamoylpyrrolidin-1-yl)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[5-(2-carbamoylpyrrolidino)-5-keto-4-(pyroglutamoylamino)pentyl]pyridin-1-ium-3-carboxamide Formula: C21H29N6O5+ MolecularWeight: 445.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1