Compound Identification
SMILES
NCCCC(NC(=O)C1=CC=C(CNC2=C(C3=C(NC(N)=NC3=O)C=C2)C(F)(F)F)C=C1)C(O)=O
InChIKey
InChIKey=JZBLZTRTDODFAU-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
-
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 Benzoyl derivatives Benzylamines Phenylmethylamines Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Aralkylamines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Quinazolinamine - Alpha-amino acid or derivatives - Quinazoline - Benzoyl - Benzylamine - Phenylmethylamine - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Amine - 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