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CHEBI:120859 - 6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid

ChEBI IDCHEBI:120859
ChEBI Name6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid
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DownloadsMolfile
FormulaC25H27N3O7
Net Charge0
Average Mass481.505
Monoisotopic Mass481.18490
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCCCC(=O)O
InChIInChI=1S/C25H27N3O7/c1-17-22(24(31)35-16-18-8-4-2-5-9-18)23(19-11-13-20(14-12-19)28(33)34)26-25(32)27(17)15-7-3-6-10-21(29)30/h2,4-5,8-9,11-14,23H,3,6-7,10,15-16H2,1H3,(H,26,32)(H,29,30)
InChIKeyRQTQCYHOOHOASI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid (CHEBI:120859) has functional parent benzyl alcohol (CHEBI:17987)
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid (CHEBI:120859) is a carboxylic ester (CHEBI:33308)
Manual XrefsDatabases
LSM-32302LINCS