Compound Identification
SMILES
C[C@@H](NC(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)SCC1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=NUEUNZIDOFLVMM-CQSZACIVSA-N
Formula
C22H24F3NO2S
Mass
423.49
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
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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
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alanine and derivatives Trifluoromethylbenzenes Phenylpropanes Benzoyl derivatives Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Phenylpropane - Benzoyl - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available