Compound Identification
SMILES
COC(=O)CCC[C@H](NC(=O)C1=CC(C)=C(C=C1)N(O)CC1=CN=C2N=C(N)N=C(N)C2=N1)C(=O)OC
InChIKey
InChIKey=QXOYFQJRCXIPQG-HNNXBMFYSA-N
Formula
C23H28N8O6
Mass
512.527
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Pteridines and derivatives m-Toluamides Benzoyl derivatives N-phenylhydroxylamines 1-hydroxylamino, 2-unsubstituted benzenoids Aminopyrimidines and derivatives Fatty acid methyl esters Imidolactams Pyrazines Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides N-organohydroxylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Pteridine - M-toluamide - Toluamide - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Benzoyl - Aminopyrimidine - Fatty acid ester - Toluene - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Pyrazine - Pyrimidine - Imidolactam - Methyl ester - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - N-organohydroxylamine - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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