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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-fluorophenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-methylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-mesyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C21H28FN3O6S MolecularWeight: 469.526923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H28FN3O6S/c1-32(30,31)25-11-10-24(21(29)15-8-5-9-16(22)12-15)20(25)19(28)23-17(13-18(26)27)14-6-3-2-4-7-14/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3,(H,23,28)(H,26,27)