Compound Identification
SMILES
CCOC(=O)C(NC(=O)C1=CC(Cl)=CC=C1)(NC1=C(C(=O)OC)C2=C(CCCC2)S1)C(F)(F)F
InChIKey
InChIKey=JRIWVHXDYWPAIV-UHFFFAOYSA-N
Formula
C22H22ClF3N2O5S
Mass
518.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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 3-halobenzoic acids and derivatives Thiophene carboxylic acids and derivatives Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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 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