Compound Identification
SMILES
CN(CC(=O)OCC(=O)C1=CC=C(Br)C=C1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=XRSCSZNPESNMTP-UHFFFAOYSA-N
Formula
C18H18BrNO5S
Mass
440.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
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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
Alkyl-phenylketones N,N-disubstituted p-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - Alkyl-phenylketone - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Phenylketone - Benzenesulfonyl group - Benzoyl - Aryl ketone - Aryl alkyl ketone - Halobenzene - Bromobenzene - Toluene - Alpha-acyloxy ketone - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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