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

Systemtic Name: 3-[[1-ethanoyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-acetyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-acetyl-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-acetyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-acetyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C22H21FN4O7 MolecularWeight: 472.423143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FN4O7/c1-13(28)25-8-9-26(22(32)15-5-2-6-16(23)10-15)21(25)20(31)24-18(12-19(29)30)14-4-3-7-17(11-14)27(33)34/h2-7,10-11,18,21H,8-9,12H2,1H3,(H,24,31)(H,29,30)