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

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(3-azido-4-oxidanylidene-azetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-azido-4-oxo-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(3-azido-4-oxo-2-azetidinyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-azido-4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-azido-4-keto-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C15H20N9O4+ MolecularWeight: 390.3772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2C(C(=O)N2)N=[N+]=[N-])C(=O)C(CC3=CN=CN3)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2C(C(=O)N2)N=[N+]=[N-])C(=O)C(CC3=CN=CN3)N)C(=O)N

InChI

InChI=1S/C15H19N9O4/c16-8(4-7-5-19-6-20-7)14(27)24(3-1-2-9(24)12(17)25)15(28)11-10(22-23-18)13(26)21-11/h5-6,8-11H,1-4,16H2,(H3-,17,19,20,21,25,26)/p+1