Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)OC1=C(C=NNC(=O)CNC(=O)C2=CC(Br)=CC=C2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=FTTMFQMQJAPQPZ-UHFFFAOYSA-N
Formula
C28H22BrN3O4
Mass
544.405
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 3-halobenzoic acids and derivatives Benzoic acid esters Phenol esters Naphthalenes Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Carboxylic acid esters Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Phenol ester - Naphthalene - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl halide - Aryl bromide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homopolycyclic 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