1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(3,3-dimethyl-4-oxidanylidene-azetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(3,3-dimethyl-4-oxidanylidene-azetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3,3-dimethyl-4-oxo-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(3,3-dimethyl-4-oxo-2-azetidinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3,3-dimethyl-4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(4-keto-3,3-dimethyl-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C17H25N6O4+ MolecularWeight: 377.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC1=O)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N)C

Isomeric SMILES

CC1(C(NC1=O)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N)C

InChI

InChI=1S/C17H24N6O4/c1-17(2)12(22-16(17)27)15(26)23(5-3-4-11(23)13(19)24)14(25)10(18)6-9-7-20-8-21-9/h7-8,10-12H,3-6,18H2,1-2H3,(H3-,19,20,21,22,24,27)/p+1