Compound Identification
SMILES
CNC(=O)NCC(NC(=O)C1=CC=C(C=C1)N(C)CC1=CN=C2N=C(N)N=C(N)C2=N1)C(O)=O
InChIKey
InChIKey=XFSACCJFAMMBAB-UHFFFAOYSA-N
Formula
C20H24N10O4
Mass
468.478
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
- 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 Pteridines and derivatives Aminobenzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Aralkylamines Pyrazines Imidolactams Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides 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 - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Pyrimidine - Pyrazine - Imidolactam - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Urea - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - 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