3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(4-fluorophenyl)sulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C25H28BrFN4O6S MolecularWeight: 611.480423

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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(=CN=C4)Br

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C25H28BrFN4O6S/c26-18-12-17(14-28-15-18)25(35)30-10-11-31(38(36,37)20-8-6-19(27)7-9-20)24(30)23(34)29-21(13-22(32)33)16-4-2-1-3-5-16/h6-9,12,14-16,21,24H,1-5,10-11,13H2,(H,29,34)(H,32,33)