Compound Identification
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C(C)(C)C
InChIKey
InChIKey=AAKDIVRPNMEHQS-UHFFFAOYSA-N
Formula
C25H30N2O6
Mass
454.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alkyl-phenylketones Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylpropanes Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-acyloxy ketones Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - Nitrobenzene - Phenylpropane - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Nitroaromatic compound - Alpha-acyloxy ketone - Organic nitro compound - Ketone - C-nitro compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available