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

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-m-anisoyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H31BrN4O6 MolecularWeight: 587.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C27H31BrN4O6/c1-38-21-9-5-8-18(13-21)26(36)31-10-11-32(27(37)19-12-20(28)16-29-15-19)25(31)24(35)30-22(14-23(33)34)17-6-3-2-4-7-17/h5,8-9,12-13,15-17,22,25H,2-4,6-7,10-11,14H2,1H3,(H,30,35)(H,33,34)