Compound Identification
SMILES
CC[C@@H](C)[C@H](NC(=O)[C@H](O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC
InChIKey
InChIKey=JGYONXWIYTWHIJ-JIMOISOXSA-N
Formula
C16H20F3NO4
Mass
347.334
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 Isoleucine and derivatives
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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
Isoleucine and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Trifluoromethylbenzenes Phenylacetamides Fatty acid esters Methyl esters Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Trifluoromethylbenzene - Phenylacetamide - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available