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

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-[(3-methylphenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-methylanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-[(3-methylphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H32BrN5O5 MolecularWeight: 586.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN5O5/c1-17-6-5-9-21(12-17)30-27(38)33-11-10-32(26(37)19-13-20(28)16-29-15-19)25(33)24(36)31-22(14-23(34)35)18-7-3-2-4-8-18/h5-6,9,12-13,15-16,18,22,25H,2-4,7-8,10-11,14H2,1H3,(H,30,38)(H,31,36)(H,34,35)