Compound Identification
SMILES
CC1=C(N2CCN(CC2)C2=CC=C(C=C2)C(=O)NC(C(O)=O)C(O)=O)C(N)=NC(N)=N1
InChIKey
InChIKey=ICRKAIQIMULQKU-UHFFFAOYSA-N
Formula
C19H23N7O5
Mass
429.437
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
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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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Phenylpiperazines N-arylpiperazines Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - 1,4-diazinane - Dicarboxylic acid or derivatives - Imidolactam - Piperazine - Pyrimidine - 1,3-dicarbonyl compound - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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