1-[2-[[1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-methyl-pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-4-methyl-pentanoyl]isonipecotic acid Formula: C23H30FN3O5 MolecularWeight: 447.499803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O5/c1-14(2)11-19(22(30)26-9-7-15(8-10-26)23(31)32)25-21(29)16-12-20(28)27(13-16)18-5-3-17(24)4-6-18/h3-6,14-16,19H,7-13H2,1-2H3,(H,25,29)(H,31,32)