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

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[4-oxidanylidene-3-(phenylmethyl)azetidin-2-yl]carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-benzyl-4-oxo-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-[4-oxo-3-(phenylmethyl)-2-azetidinyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-benzyl-4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-benzyl-4-keto-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H27N6O4+ MolecularWeight: 439.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2C(C(=O)N2)CC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2C(C(=O)N2)CC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N)C(=O)N

InChI

InChI=1S/C22H26N6O4/c23-16(10-14-11-25-12-26-14)21(31)28(8-4-7-17(28)19(24)29)22(32)18-15(20(30)27-18)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,15-18H,4,7-10,23H2,(H3-,24,25,26,27,29,30)/p+1