Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C(N)=O
InChIKey
InChIKey=JLNYJFMPVJBKPG-UFBFGSQYSA-N
Formula
C15H17ClN2O2S
Mass
324.82
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
N-acyl-alpha amino acids and derivatives 1-benzothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Aryl chlorides Benzenoids Fatty amides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carbonyl compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Benzothiophene - 1-benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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