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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3,4-dichlorophenyl)sulfonyl-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(3,4-dichlorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H29Cl2N3O7S MolecularWeight: 598.49536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H29Cl2N3O7S/c27-20-12-11-19(15-21(20)28)39(36,37)31-14-13-30(26(35)38-18-9-5-2-6-10-18)25(31)24(34)29-22(16-23(32)33)17-7-3-1-4-8-17/h2,5-6,9-12,15,17,22,25H,1,3-4,7-8,13-14,16H2,(H,29,34)(H,32,33)