Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=CC(OCC2=CC=C(Cl)C=C2)=C(N)C=C1)C(O)=O
InChIKey
InChIKey=WEDVCCCIWGCGAO-SGTLLEGYSA-N
Formula
C20H23ClN2O4
Mass
390.86
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
Hippuric acids N-acyl-alpha amino acids Aminobenzamides Aminophenyl ethers Aniline and substituted anilines Benzoyl derivatives Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Primary amines Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Hippuric acid - Hippuric acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organochloride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - 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