Compound Identification
SMILES
CC(O)C(NC(=O)COC1=C(Cl)C=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=IDGWHPMXHYRFME-UHFFFAOYSA-N
Formula
C12H13Cl2NO5
Mass
322.14
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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids 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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Beta hydroxy acids and derivatives Aryl chlorides Secondary carboxylic acid amides Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available