Compound Identification
SMILES
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC1=C(Cl)C=C2C(C)=C(C)C(=O)OC2=C1
InChIKey
InChIKey=PWGLQYQUQXHSQR-UHFFFAOYSA-N
Formula
C24H26ClNO6S
Mass
491.98
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 P-toluenesulfonamides Coumarins and derivatives 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Fatty acid esters Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - P-toluenesulfonamide - Coumarin - Benzenesulfonamide - Benzopyran - Tosyl compound - 1-benzopyran - Benzenesulfonyl group - Fatty acid ester - Pyranone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Fatty acyl - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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