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CHEBI:71549 - 4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid

ChEBI IDCHEBI:71549
ChEBI Name4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid
Stars
ASCII Name4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid
DefinitionA dicarboxylic acid monoester that is succinic acid monoesterified with 6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-ol
Last Modified9 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H25NO5
Net Charge0
Average Mass407.466
Monoisotopic Mass407.17327
SMILESN[C@@]1(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2CC(OC(=O)CCC(=O)O)[C@@H]1C2
InChIInChI=1S/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1
InChIKeyYYUSZVUKKRMJFD-HAHIRZQVSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) has functional parent succinic acid (CHEBI:15741)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) has parent hydride norbornane (CHEBI:71546)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) is a aromatic ketone (CHEBI:76224)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) is a dicarboxylic acid monoester (CHEBI:36244)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) is a hemisuccinate (CHEBI:138979)
4-{[6-endo-amino-6-exo-benzoyl-5-exo-phenylnorbornan-2-yl]oxy}-4-oxobutanoic acid (CHEBI:71549) is a primary amino compound (CHEBI:50994)
IUPAC Name 
4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid
Citations