Compound Identification
SMILES
OC1=CC(=CC(NC2=NCCCCC2)=C1)C(=O)NCC(=O)N[C@H](CC=O)C1=C(O)C(Cl)=CC(Br)=C1
InChIKey
InChIKey=JUUSNJVJCRVEDX-HXUWFJFHSA-N
Formula
C24H26BrClN4O5
Mass
565.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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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 Alpha amino acid amides Aminobenzoic acids and derivatives m-Aminophenols Benzoyl derivatives Aniline and substituted anilines P-bromophenols O-chlorophenols Azepines Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Imidolactams Alpha-hydrogen aldehydes Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Amines Organic oxides Hydrocarbon derivatives Organochlorides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Aminobenzoic acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-chlorophenol - M-aminophenol - 2-halophenol - 4-halophenol - 4-bromophenol - Benzoyl - Aniline or substituted anilines - Aminophenol - Chlorobenzene - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Azepine - Phenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Imidolactam - Alpha-hydrogen aldehyde - Secondary carboxylic acid amide - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Aromatic heteromonocyclic 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