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

Systemtic Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-thiophen-2-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-3-[oxo(thiophen-2-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-(2-thenoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H21FN4O8S2 MolecularWeight: 576.573943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=CS2)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=CS2)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/C24H21FN4O8S2/c25-16-6-8-18(9-7-16)39(36,37)28-11-10-27(24(33)20-5-2-12-38-20)23(28)22(32)26-19(14-21(30)31)15-3-1-4-17(13-15)29(34)35/h1-9,12-13,19,23H,10-11,14H2,(H,26,32)(H,30,31)