3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H28BrFN4O5 MolecularWeight: 575.426723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrFN4O5/c27-19-11-18(14-29-15-19)26(37)32-10-9-31(25(36)17-7-4-8-20(28)12-17)24(32)23(35)30-21(13-22(33)34)16-5-2-1-3-6-16/h4,7-8,11-12,14-16,21,24H,1-3,5-6,9-10,13H2,(H,30,35)(H,33,34)