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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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