Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)OCC(=O)C1=CC=C(C=C1)C1CCCCC1
InChIKey
InChIKey=MBDGTYUTAIAIFN-UHFFFAOYSA-N
Formula
C30H39NO4
Mass
477.645
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 N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alkyl-phenylketones Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Alpha-acyloxy ketones Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - Valine or derivatives - Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylketone - Phenylpropane - Benzoyl - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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