Compound Identification
SMILES
COC(=O)[C@H](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1)C(C)(C)SCCCO
InChIKey
InChIKey=OARRVIAVWWLQQR-IBGZPJMESA-N
Formula
C21H26FNO5S2
Mass
455.56
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
-
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
Valine and derivatives Biphenyls and derivatives Benzenesulfonamides Benzenesulfonyl compounds Fluorobenzenes Fatty acid esters Organosulfonamides Aryl fluorides Aminosulfonyl compounds Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Biphenyl - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Methyl ester - Sulfonyl - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Primary alcohol - Organohalogen compound - Alcohol - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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