Compound Identification
SMILES
CC(C)C(NS(=O)(=O)C1=CC=C(C=C1)C1=NOC(=N1)C1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=PWORGJXOAAQVSJ-UHFFFAOYSA-N
Formula
C19H18ClN3O5S
Mass
435.88
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
-
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
Phenyloxadiazoles Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Phenyl-1,2,4-oxadiazole - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-oxadiazole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxadiazole - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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