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

Systemtic Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(4-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-m-anisoyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C27H32FN3O7S MolecularWeight: 561.622283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=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/C27H32FN3O7S/c1-38-21-9-5-8-19(16-21)27(35)30-14-15-31(39(36,37)22-12-10-20(28)11-13-22)26(30)25(34)29-23(17-24(32)33)18-6-3-2-4-7-18/h5,8-13,16,18,23,26H,2-4,6-7,14-15,17H2,1H3,(H,29,34)(H,32,33)