Compound Identification
SMILES
NC(=O)CC(NC(=O)C1=C(Cl)C=CC(Br)=C1)C(O)=O
InChIKey
InChIKey=KEVXVUIJOPVAKB-UHFFFAOYSA-N
Formula
C11H10BrClN2O4
Mass
349.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Asparagine and derivatives
Alternative Parents
Hippuric acids N-acyl-alpha amino acids 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Chlorobenzenes Fatty amides Aryl chlorides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Bromobenzene - Aryl chloride - Aryl bromide - Fatty acyl - Fatty amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available