Compound Identification
SMILES
NC(=O)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=FKQBTGOGLGWDHY-UHFFFAOYSA-N
Formula
C19H16BrClN2O5
Mass
467.7
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
-
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
Alkyl-phenylketones Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives 4-halobenzoic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Chlorobenzenes Fatty acid esters Aryl chlorides Aryl bromides Fatty amides Secondary carboxylic acid amides Carboxylic acid esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenylketone - Aryl ketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Fatty acid ester - Halobenzene - Bromobenzene - Alpha-acyloxy ketone - Benzenoid - Aryl halide - Fatty amide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Fatty acyl - Carboxamide group - Ketone - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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