Compound Identification
SMILES
CCCCC(NS(=O)(=O)C1=C(OC)C=CC(Br)=C1)C(=O)OCC
InChIKey
InChIKey=WXWWZUPPOOOLNL-UHFFFAOYSA-N
Formula
C15H22BrNO5S
Mass
408.31
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fatty acid esters Organosulfonamides Aryl bromides Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Halobenzene - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Aryl bromide - Fatty acyl - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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