Compound Identification
SMILES
CC(C)C[C@H](NC(=O)C1=C(Cl)C=C(C=C1)C1=C(Cl)C=CC=C1Cl)C(=O)NCC#N
InChIKey
InChIKey=PSAMJRUNARMSTC-SFHVURJKSA-N
Formula
C21H20Cl3N3O2
Mass
452.76
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 Leucine 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
Leucine and derivatives
Alternative Parents
Polychlorinated biphenyls N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides 2-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives N-acyl amines Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Leucine or derivatives - Polychlorinated biphenyl - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Chlorinated biphenyl - Alpha-amino acid amide - Biphenyl - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Fatty acyl - Fatty amide - Monocyclic benzene moiety - N-acyl-amine - Aryl halide - Aryl chloride - Benzenoid - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available