Compound Identification
SMILES
CCOC(=O)C(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)OCC
InChIKey
InChIKey=HHLWTKBZDIMTBY-UHFFFAOYSA-N
Formula
C13H16BrNO6S
Mass
394.24
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Dicarboxylic acids and derivatives Aryl bromides 1,3-dicarbonyl compounds Aminosulfonyl compounds Carboxylic acid esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Bromobenzene - Aryl bromide - Dicarboxylic acid or derivatives - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - 1,3-dicarbonyl compound - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - 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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available