Compound Identification
SMILES
CCOC(=O)COC1=C(OCC)C=C(C=NNC(=O)C(NC(=O)C2=CC=CC=C2Cl)C(C)C)C=C1Br
InChIKey
InChIKey=JOBUDZNFKQZSRZ-UHFFFAOYSA-N
Formula
C25H29BrClN3O6
Mass
582.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Phenoxyacetic acid derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Phenoxyacetate - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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