3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(3-fluoroanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-[(3-fluorophenyl)carbamoyl]-3-piperonyloyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C28H24FN5O9 MolecularWeight: 593.516663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C28H24FN5O9/c29-18-4-2-5-19(13-18)30-28(39)33-10-9-32(27(38)17-7-8-22-23(12-17)43-15-42-22)26(33)25(37)31-21(14-24(35)36)16-3-1-6-20(11-16)34(40)41/h1-8,11-13,21,26H,9-10,14-15H2,(H,30,39)(H,31,37)(H,35,36)