3-[[1-(4-fluorophenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-fluorophenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorobenzoyl)-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-fluorophenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorobenzoyl)-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(4-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H23FN4O8 MolecularWeight: 550.491923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H23FN4O8/c28-19-11-9-17(10-12-19)26(36)30-13-14-31(27(37)40-21-7-2-1-3-8-21)25(30)24(35)29-22(16-23(33)34)18-5-4-6-20(15-18)32(38)39/h1-12,15,22,25H,13-14,16H2,(H,29,35)(H,33,34)