3-(4-fluorophenyl)-3-[[1-(4-methylphenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(4-methylphenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-(4-methylbenzoyl)-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(4-methylbenzoyl)-3-methylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[(1-mesyl-3-p-toluoyl-imidazolidine-2-carbonyl)amino]propionic acid Formula: C22H24FN3O6S MolecularWeight: 477.505863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C22H24FN3O6S/c1-14-3-5-16(6-4-14)22(30)25-11-12-26(33(2,31)32)21(25)20(29)24-18(13-19(27)28)15-7-9-17(23)10-8-15/h3-10,18,21H,11-13H2,1-2H3,(H,24,29)(H,27,28)