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

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ChEBI Name 6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid
ChEBI ID CHEBI:120859
Stars This entity has been manually annotated by a third party.
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Formula C25H27N3O7
Net Charge 0
Average Mass 481.499
Monoisotopic Mass 481.18490
InChI InChI=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)
InChIKey RQTQCYHOOHOASI-UHFFFAOYSA-N
SMILES CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3
ChEBI Ontology
Outgoing 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 Xref Database
LSM-32302 LINCS
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