Compound Identification
SMILES
C[C@@H](N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(F)(F)F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=KVSOOUHSMRBEFX-LRTDBIEQSA-N
Formula
C22H19F5N4O4
Mass
498.41
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 Trifluoromethylbenzenes Phenylpropanes Benzoyl derivatives Fluorobenzenes Aryl fluorides Triazoles Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Aromatic alcohols Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Phenylpropane - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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