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

Systemtic Name: 3-[[1-(3,4-dichlorophenyl)carbonyl-3-(3,3-dimethylbutanoyl)imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(3,4-dichlorobenzoyl)-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-3-(3,3-dimethyl-1-oxobutyl)-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(3,4-dichlorobenzoyl)-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(3,4-dichlorobenzoyl)-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C26H28Cl2FN3O5 MolecularWeight: 552.422023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H28Cl2FN3O5/c1-26(2,3)14-21(33)31-10-11-32(25(37)16-6-9-18(27)19(28)12-16)24(31)23(36)30-20(13-22(34)35)15-4-7-17(29)8-5-15/h4-9,12,20,24H,10-11,13-14H2,1-3H3,(H,30,36)(H,34,35)