Compound Identification
SMILES
COC(=O)[C@@H](CC1=CC(Cl)=C(NC(C)=O)C=C1)NC(C)=O
InChIKey
InChIKey=XYRLSBYJBZEXES-CYBMUJFWSA-N
Formula
C14H17ClN2O4
Mass
312.75
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 Phenylalanine 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
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives O-haloacetanilides Amphetamines and derivatives N-acetylarylamines Chlorobenzenes Fatty acid esters Aryl chlorides Acetamides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - O-haloacetanilide - Haloacetanilide - Amphetamine or derivatives - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetamide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available