3-[[1-[(3-fluorophenyl)carbamoyl]-3-morpholin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-[(3-fluorophenyl)carbamoyl]-3-morpholin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-[(3-fluorophenyl)carbamoyl]-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-fluoroanilino)-oxomethyl]-3-[4-morpholinyl(oxo)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-fluorophenyl)carbamoyl]-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-[(3-fluorophenyl)carbamoyl]-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H27FN6O8 MolecularWeight: 558.515683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)NC2=CC(=CC=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CN(C(N1C(=O)NC2=CC(=CC=C2)F)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C25H27FN6O8/c26-17-4-2-5-18(14-17)27-24(36)30-7-8-31(25(37)29-9-11-40-12-10-29)23(30)22(35)28-20(15-21(33)34)16-3-1-6-19(13-16)32(38)39/h1-6,13-14,20,23H,7-12,15H2,(H,27,36)(H,28,35)(H,33,34)