Compound Identification
SMILES
NCCCC(NC(=O)C1=CC=C(NCC2=C(C3=C(NC(N)=NC3=O)C=C2)C(F)(F)F)C=C1)C(O)=O
InChIKey
InChIKey=QMDKLKMYZJMJMO-UHFFFAOYSA-N
Formula
C22H23F3N6O4
Mass
492.459
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 Quinazolinamines Aminobenzamides Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Monoalkylamines Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Quinazolinamine - Aminobenzoic acid or derivatives - Aminobenzamide - Quinazoline - Alpha-amino acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - 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