1-(2-azanyl-3-phenyl-propanoyl)-1-(2-methyl-4-oxidanylidene-cyclopentyl)carbonyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-1-(2-methyl-4-oxidanylidene-cyclopentyl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-1-(2-methyl-4-oxo-cyclopentanecarbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-1-[(2-methyl-4-oxocyclopentyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-1-(2-methyl-4-oxocyclopentanecarbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-(4-keto-2-methyl-cyclopentanecarbonyl)-1-phenylalanyl-pyrrolidin-1-ium-2-carboxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC1C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1CC(=O)CC1C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C21H27N3O4/c1-13-10-15(25)12-16(13)20(27)24(9-5-8-18(24)19(23)26)21(28)17(22)11-14-6-3-2-4-7-14/h2-4,6-7,13,16-18H,5,8-12,22H2,1H3,(H-,23,26)/p+1