Compound Identification
SMILES
OC(=O)C[C@H](NC(=O)C1=CC=CC=C1NC(=O)CCl)C(O)=O
InChIKey
InChIKey=DAJHFDRCNBQKDV-VIFPVBQESA-N
Formula
C13H13ClN2O6
Mass
328.71
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 Aspartic acid 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
Aspartic acid and derivatives
Alternative Parents
Acylaminobenzoic acid and derivatives N-acyl-alpha amino acids Hippuric acids Anilides N-arylamides Benzoyl derivatives Dicarboxylic acids and derivatives Vinylogous amides Chloroacetamides Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - Acylaminobenzoic acid or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous amide - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available