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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-phenoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-phenoxycarbonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-[oxo(phenoxy)methyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-phenoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(3,4-dichlorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H29Cl2N3O6 MolecularWeight: 562.44166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)OC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)OC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H29Cl2N3O6/c28-20-12-11-18(15-21(20)29)26(36)31-13-14-32(27(37)38-19-9-5-2-6-10-19)25(31)24(35)30-22(16-23(33)34)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,30,35)(H,33,34)