Compound Identification
SMILES
CC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C12)C(=O)NC1=NC2=C(S1)C=C(C)C=C2
InChIKey
InChIKey=YTSPKCREJNLTJS-UHFFFAOYSA-N
Formula
C19H19N5O3S3
Mass
461.57
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 Valine 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
Valine and derivatives
Alternative Parents
Alpha amino acid amides Benzothiadiazoles Benzothiazoles N-arylamides Benzenoids Fatty amides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Thiadiazoles Thiazoles Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - 2,1,3-benzothiadiazole - 1,3-benzothiazole - N-arylamide - Fatty amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Thiadiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available