Compound Identification
SMILES
CCOC(=O)C(C)N1C(=O)C(C)(SC)C2=C1C=CC(OC1=C(Cl)C=C(C=C1)C(F)(F)F)=C2
InChIKey
InChIKey=QOFKJOLAWODQID-UHFFFAOYSA-N
Formula
C22H21ClF3NO4S
Mass
487.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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
Indolyl carboxylic acids and derivatives Alanine and derivatives Diarylethers Trifluoromethylbenzenes Indoles Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Carboxylic acid esters Lactams Dialkylthioethers Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Carbonyl compounds Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Alanine or derivatives - Diaryl ether - Trifluoromethylbenzene - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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