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

Systemtic Name: 3-[[1-(4-fluorophenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorobenzoyl)-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-fluorophenyl)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorobenzoyl)-3-methylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorobenzoyl)-3-mesyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C21H21FN4O8S MolecularWeight: 508.476843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O8S/c1-35(33,34)25-10-9-24(21(30)13-5-7-15(22)8-6-13)20(25)19(29)23-17(12-18(27)28)14-3-2-4-16(11-14)26(31)32/h2-8,11,17,20H,9-10,12H2,1H3,(H,23,29)(H,27,28)