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

Systemtic Name: 3-[[1-(3-fluorophenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-fluorobenzoyl)-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-fluorobenzoyl)-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(3-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(=CC=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(=CC=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/c28-19-8-4-7-18(14-19)26(36)30-12-13-31(27(37)40-21-10-2-1-3-11-21)25(30)24(35)29-22(16-23(33)34)17-6-5-9-20(15-17)32(38)39/h1-11,14-15,22,25H,12-13,16H2,(H,29,35)(H,33,34)