3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-methylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-mesyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C21H27Cl2N3O6S MolecularWeight: 520.42658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27Cl2N3O6S/c1-33(31,32)26-10-9-25(21(30)14-7-8-15(22)16(23)11-14)20(26)19(29)24-17(12-18(27)28)13-5-3-2-4-6-13/h7-8,11,13,17,20H,2-6,9-10,12H2,1H3,(H,24,29)(H,27,28)