Compound Identification
SMILES
OC(=O)C(CC(=O)NC1=CC(Cl)=C(Cl)C=C1)NCC1=CN=CC=C1
InChIKey
InChIKey=ZZJXEEINTFKCLN-UHFFFAOYSA-N
Formula
C16H15Cl2N3O3
Mass
368.21
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
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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
Alpha amino acids Anilides Dichlorobenzenes N-arylamides Aralkylamines Pyridines and derivatives Aryl chlorides Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid - Anilide - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aralkylamine - Fatty acyl - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty amide - Pyridine - Heteroaromatic compound - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Amine - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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