Compound Identification
SMILES
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C(\NC(=O)C3=CC=CC=C3Cl)=C/C3=CC=C(Br)C=C3)C=C2)=C1
InChIKey
InChIKey=CDFCQHBIDIOPIR-HZHRSRAPSA-N
Formula
C28H23BrClN5O6S
Mass
672.94
Taxonomic Classification
Taxonomy Tree
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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
-
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 Cinnamic acid amides 2-halobenzoic acids and derivatives Benzenesulfonamides Anilides Benzenesulfonyl compounds Benzoyl derivatives N-arylamides Alkyl aryl ethers Bromobenzenes Chlorobenzenes Organosulfonamides Aryl chlorides Aryl bromides Pyrimidines and pyrimidine derivatives Imidolactams Vinylogous halides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Carbonyl compounds Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Anilide - N-arylamide - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Imidolactam - Aryl halide - Organosulfonic acid amide - Aryl bromide - Aryl chloride - Pyrimidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organobromide - Organochloride - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - 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