Compound Identification
SMILES
NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=OHGKXJHCJMKGHQ-XOBRGWDASA-N
Formula
C23H25BrF3N3O4S
Mass
576.43
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
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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 Trifluoromethylbenzenes 2-aminobenzamides Anthranilamides Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Sulfones Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Aminobenzamide - 2-aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Sulfonyl - Sulfone - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organosulfur compound - Carbonyl group - Primary amine - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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