Compound Identification
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)C=C(Cl)C(=C1)C(=O)OC
InChIKey
InChIKey=KLUBIJTZNXWLEW-HNNXBMFYSA-N
Formula
C18H17Cl2NO6S
Mass
446.3
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
-
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 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Amphetamines and derivatives Benzoic acid esters Benzenesulfonamides Benzenesulfonyl compounds Dichlorobenzenes Benzoyl derivatives Fatty acid esters Organosulfonamides Aryl chlorides Vinylogous halides Aminosulfonyl compounds Methyl esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Organosulfonic acid amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous halide - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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