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

Systemtic Name: 1-[4-(2-aminocarbonylpyrrolidin-1-yl)-4-oxidanylidene-3-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]butyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-3-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[4-(2-carbamoyl-1-pyrrolidinyl)-4-oxo-3-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]butyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-3-[(5-oxopyrrolidine-2-carbonyl)amino]butyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[4-(2-carbamoylpyrrolidino)-4-keto-3-(pyroglutamoylamino)butyl]pyridin-1-ium-3-carboxamide Formula: C20H27N6O5+ MolecularWeight: 431.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O5/c21-17(28)12-3-1-8-25(11-12)10-7-14(24-19(30)13-5-6-16(27)23-13)20(31)26-9-2-4-15(26)18(22)29/h1,3,8,11,13-15H,2,4-7,9-10H2,(H5-,21,22,23,24,27,28,29,30)/p+1