Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)OCC(=O)C1=CC=CN1
InChIKey
InChIKey=VXQVYZLGTCVFLR-UHFFFAOYSA-N
Formula
C22H28N2O4
Mass
384.476
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
Valine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylpropane - Benzoyl - Aryl alkyl ketone - Aryl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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