Compound Identification
SMILES
CCC(C)C(N)C(=O)OC1=CC2=C(C(C)=C1)C(=O)C(C1=CSC(C)=N1)=C(O2)C(F)(F)F
InChIKey
InChIKey=XBKYVZZJIBKQJH-UHFFFAOYSA-N
Formula
C21H21F3N2O4S
Mass
454.46
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 Isoleucine and derivatives
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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
Isoleucine and derivatives
Alternative Parents
Alpha amino acid esters Chromones Phenol esters Pyranones and derivatives 2,4-disubstituted thiazoles Fatty acid esters Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Chromone - Phenol ester - Benzopyran - 1-benzopyran - Fatty acid ester - 2,4-disubstituted 1,3-thiazole - Pyranone - Benzenoid - Pyran - Fatty acyl - Heteroaromatic compound - Thiazole - Azole - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic 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