Compound Identification
SMILES
NC(=O)C[C@H](NC(=O)C1=CC=CC=C1NC(=O)CCl)C(O)=O
InChIKey
InChIKey=DANMGGDOMPMIDT-VIFPVBQESA-N
Formula
C13H14ClN3O5
Mass
327.72
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
Acylaminobenzoic acid and derivatives N-acyl-alpha amino acids Hippuric acids Anilides N-arylamides Benzoyl derivatives Fatty amides Vinylogous amides Chloroacetamides Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acylaminobenzoic acid or derivatives - Hippuric acid - Hippuric acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Chloroacetamide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen 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