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CHEBI:71523 - {[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid

ChEBI IDCHEBI:71523
ChEBI Name{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid
Stars
ASCII Name{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-1-yl]carbamoyloxy}acetic acid
DefinitionA dicarboximide of bicyclo[2.2.2]octene, in which the nitrogen is substituted by a 4-acetamidophenyl group and one bridgehead is substituted by a 1-(carboxymethoxy)carboxamido group.
Last Modified6 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H23N3O7
Net Charge0
Average Mass429.429
Monoisotopic Mass429.15360
SMILESCC(=O)Nc1ccc(N2C(=O)C3C(C2=O)[C@]2(NC(=O)OCC(=O)O)CC[C@H]3CC2)cc1
InChIInChI=1S/C21H23N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-5,12,16-17H,6-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16?,17?,21-
InChIKeyWBCOLMYVEBTZOA-BYGYDQHBSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) has role hapten (CHEBI:59174)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a acetamides (CHEBI:22160)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a bridged compound (CHEBI:35990)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a carbamate ester (CHEBI:23003)
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid (CHEBI:71523) is a dicarboximide (CHEBI:35356)
IUPAC Name 
{[(1r,7r)-4-(4-acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-1-yl]carbamoyloxy}acetic acid
Citations