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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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