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

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methyl-4-oxidanylidene-cyclopentyl)carbonyl-pyrrolidin-1-ium-2-carboxamide hydrate Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methyl-4-oxo-cyclopentanecarbonyl)pyrrolidin-1-ium-2-carboxamide hydrate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(2-methyl-4-oxocyclopentyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide hydrate IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methyl-4-oxocyclopentanecarbonyl)pyrrolidin-1-ium-2-carboxamide hydrate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(4-keto-2-methyl-cyclopentanecarbonyl)pyrrolidin-1-ium-2-carboxamide hydrate Formula: C18H28N5O5+ MolecularWeight: 394.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC1C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N.O

Isomeric SMILES

CC1CC(=O)CC1C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N.O

InChI

InChI=1S/C18H25N5O4.H2O/c1-10-5-12(24)7-13(10)17(26)23(4-2-3-15(23)16(20)25)18(27)14(19)6-11-8-21-9-22-11;/h8-10,13-15H,2-7,19H2,1H3,(H2-,20,21,22,25);1H2/p+1