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

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-[(4-methoxyphenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(4-methoxyanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(5-bromopyridine-3-carbonyl)-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(5-bromonicotinoyl)-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H32BrN5O6 MolecularWeight: 602.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN5O6/c1-39-21-9-7-20(8-10-21)30-27(38)33-12-11-32(26(37)18-13-19(28)16-29-15-18)25(33)24(36)31-22(14-23(34)35)17-5-3-2-4-6-17/h7-10,13,15-17,22,25H,2-6,11-12,14H2,1H3,(H,30,38)(H,31,36)(H,34,35)