Compound Identification
SMILES
NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)NC(CCCCC(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=BEEXXHBYJPWAHE-UHFFFAOYSA-N
Formula
C21H24N8O5
Mass
468.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Aminobenzamides Pteridines and derivatives Aniline and substituted anilines Benzoyl derivatives Medium-chain fatty acids Phenylalkylamines Secondary alkylarylamines Aminopyrimidines and derivatives Heterocyclic fatty acids Amino fatty acids Pyrazines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Medium-chain fatty acid - Amino fatty acid - Aminopyrimidine - Heterocyclic fatty acid - Aralkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Pyrazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available