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

Systemtic Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C26H23FN4O9S MolecularWeight: 586.545623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OC2=CC=CC=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)OC2=CC=CC=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/C26H23FN4O9S/c27-18-9-11-21(12-10-18)41(38,39)30-14-13-29(26(35)40-20-7-2-1-3-8-20)25(30)24(34)28-22(16-23(32)33)17-5-4-6-19(15-17)31(36)37/h1-12,15,22,25H,13-14,16H2,(H,28,34)(H,32,33)