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

Systemtic Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(4-fluorophenyl)sulfonyl-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-m-toluoyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H32FN3O6S MolecularWeight: 545.622883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H32FN3O6S/c1-18-6-5-9-20(16-18)27(35)30-14-15-31(38(36,37)22-12-10-21(28)11-13-22)26(30)25(34)29-23(17-24(32)33)19-7-3-2-4-8-19/h5-6,9-13,16,19,23,26H,2-4,7-8,14-15,17H2,1H3,(H,29,34)(H,32,33)