Compound Identification
SMILES
CC(C)(C)OCC(NS(=O)(=O)C1=C(OC(F)(F)F)C=C(Br)C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=LWGGOHWZXQJTMY-UHFFFAOYSA-N
Formula
C18H25BrF3NO6S
Mass
520.36
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
-
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
Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Trihalomethanes Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Trihalomethane - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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