Compound Identification
SMILES
OCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=BAYZIQODOVGYCN-UHFFFAOYSA-N
Formula
C21H26BrNO6S
Mass
500.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
Serine and derivatives Benzenesulfonamides Benzenesulfonyl compounds Alpha-acyloxy ketones Bromobenzenes Beta hydroxy acids and derivatives Organosulfonamides Aryl bromides Aminosulfonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid ester - Serine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Alpha-acyloxy ketone - Beta-hydroxy acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Hydroxy acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organohalogen compound - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic 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