3-[[1-(4-bromophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(4-bromophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(4-bromobenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-bromophenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(4-bromobenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(4-bromobenzoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H29BrFN3O5 MolecularWeight: 574.438663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H29BrFN3O5/c28-20-11-9-18(10-12-20)26(36)31-13-14-32(27(37)19-7-4-8-21(29)15-19)25(31)24(35)30-22(16-23(33)34)17-5-2-1-3-6-17/h4,7-12,15,17,22,25H,1-3,5-6,13-14,16H2,(H,30,35)(H,33,34)