Compound Identification
SMILES
COC(=O)C(CCO)N[C@H]1COC2=C(F)C=CC(F)=C2[C@@H]1S(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HCLVAXQMCZERHJ-UDGGGLCFSA-N
Formula
C20H20ClF2NO6S
Mass
475.89
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
1-benzopyrans Benzenesulfonyl compounds Alkyl aryl ethers Aralkylamines Chlorobenzenes Fatty acid esters Aryl chlorides Aryl fluorides Sulfones 1,3-aminoalcohols Methyl esters Dialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Chromane - 1-benzopyran - Benzopyran - Benzenesulfonyl group - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Methyl ester - Sulfonyl - Sulfone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organosulfur compound - Organic oxygen compound - Primary alcohol - Carbonyl group - Organic nitrogen compound - Alcohol - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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