Compound Identification
SMILES
CCC(C)C(NC(=O)CC(C)C)C(=O)NC1=NN=C(S1)C1=CC(OC)=CC=C1
InChIKey
InChIKey=OAYXWKFOMHNMAZ-UHFFFAOYSA-N
Formula
C20H28N4O3S
Mass
404.53
Taxonomic Classification
Taxonomy Tree
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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
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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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers N-acyl amines Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenol ether - N-arylamide - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - N-acyl-amine - Fatty acyl - Fatty amide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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