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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3,4-dichlorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorobenzoyl)-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(3,4-dichlorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C28H31Cl2N3O6 MolecularWeight: 576.46824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)OCC3=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)OCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H31Cl2N3O6/c29-21-12-11-20(15-22(21)30)27(37)32-13-14-33(28(38)39-17-18-7-3-1-4-8-18)26(32)25(36)31-23(16-24(34)35)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19,23,26H,2,5-6,9-10,13-14,16-17H2,(H,31,36)(H,34,35)