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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-propylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C23H31Cl2N3O6S MolecularWeight: 548.47974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31Cl2N3O6S/c1-2-12-35(33,34)28-11-10-27(23(32)16-8-9-17(24)18(25)13-16)22(28)21(31)26-19(14-20(29)30)15-6-4-3-5-7-15/h8-9,13,15,19,22H,2-7,10-12,14H2,1H3,(H,26,31)(H,29,30)