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

Systemtic Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(4-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(4-fluorophenyl)sulfonyl-3-[(4-nitrophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H29FN4O8S MolecularWeight: 576.593863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29FN4O8S/c27-19-8-12-21(13-9-19)40(38,39)30-15-14-29(26(35)18-6-10-20(11-7-18)31(36)37)25(30)24(34)28-22(16-23(32)33)17-4-2-1-3-5-17/h6-13,17,22,25H,1-5,14-16H2,(H,28,34)(H,32,33)