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

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(3-nitrophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(3-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[1-[(3-nitrophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(3-nitrobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-(3-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C24H21FN4O8S2 MolecularWeight: 576.573943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

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