3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-p-toluoyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H31BrN4O5 MolecularWeight: 571.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C27H31BrN4O5/c1-17-7-9-19(10-8-17)26(36)31-11-12-32(27(37)20-13-21(28)16-29-15-20)25(31)24(35)30-22(14-23(33)34)18-5-3-2-4-6-18/h7-10,13,15-16,18,22,25H,2-6,11-12,14H2,1H3,(H,30,35)(H,33,34)