Compound Identification
SMILES
COC(=O)C(CCCCNC(=O)NC1=CC=C(Br)C=C1)NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=APGAPRIGIUKPFL-UHFFFAOYSA-N
Formula
C21H26BrN3O5S
Mass
512.42
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
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Level 5
Amino acids and derivatives
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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
P-toluenesulfonamides Benzenesulfonamides N-phenylureas Benzenesulfonyl compounds Bromobenzenes Fatty acid esters Aryl bromides Organosulfonamides Aminosulfonyl compounds Methyl esters Ureas Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - P-toluenesulfonamide - N-phenylurea - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Toluene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Urea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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