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

Systemtic Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-3-[oxo(pyridin-4-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-isonicotinoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H22FN5O8S MolecularWeight: 571.534283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN5O8S/c26-18-4-6-20(7-5-18)40(38,39)30-13-12-29(25(35)16-8-10-27-11-9-16)24(30)23(34)28-21(15-22(32)33)17-2-1-3-19(14-17)31(36)37/h1-11,14,21,24H,12-13,15H2,(H,28,34)(H,32,33)