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

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-fluorophenyl)carbamoyl]-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-[(3-fluorophenyl)carbamoyl]-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-fluoroanilino)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(3-fluorophenyl)carbamoyl]-3-methylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-[(3-fluorophenyl)carbamoyl]-3-mesyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C21H29FN4O6S MolecularWeight: 484.541563

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)NC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H29FN4O6S/c1-33(31,32)26-11-10-25(21(30)23-16-9-5-8-15(22)12-16)20(26)19(29)24-17(13-18(27)28)14-6-3-2-4-7-14/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3,(H,23,30)(H,24,29)(H,27,28)