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CHEBI:63747 - 6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid

ChEBI IDCHEBI:63747
ChEBI Name6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
Stars
ASCII Name6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
DefinitionA monocarboxylic acid amide compound having an N-(5-carboxypentyl) substituent and a C-[4-(4-nitrophenoxy)-4-oxobutyl)] substituent.
Last Modified5 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H22N2O7
Net Charge0
Average Mass366.370
Monoisotopic Mass366.14270
SMILESO=C(O)CCCCCNC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H22N2O7/c20-15(18-12-3-1-2-6-16(21)22)5-4-7-17(23)26-14-10-8-13(9-11-14)19(24)25/h8-11H,1-7,12H2,(H,18,20)(H,21,22)
InChIKeyJKKVVRPNOCMQNY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) has functional parent 6-aminohexanoic acid (CHEBI:16586)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a C-nitro compound (CHEBI:35716)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a carboxylic ester (CHEBI:33308)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a monocarboxylic acid (CHEBI:25384)
6-{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid (CHEBI:63747) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
6-{[5-(4-nitrophenoxy)-5-oxopentanoyl]amino}hexanoic acid
Synonyms  Source
nP-E1ChEBI
4-nitrophenyl 5-[(5-carboxypentyl)amino]-5-oxopentanoateChEBI
Citations