Compound Identification
SMILES
CCC(C)[C@@H](CN(C)[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS
InChIKey
InChIKey=WOMLPRIYJFYGGD-BLUBZBIGSA-N
Formula
C21H44N4O3S2
Mass
464.73
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
Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Thia fatty acids Branched fatty acids N-acyl amines Secondary carboxylic acid amides Trialkylamines Amino acids Sulfenyl compounds Alkylthiols Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Isoleucine or derivatives - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Branched fatty acid - Thia fatty acid - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Carboxamide group - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkylthiol - Secondary amine - Carbonyl group - Primary aliphatic amine - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Aliphatic acyclic 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