Structure Information
Structure

Compound Identification

SMILES

CC(CC(=O)NS(=O)(=O)C1=CC=CC=C1Cl)NC1=CC(OCCC2=CC=C(C=C2)C(N)=N)=CC(C)=C1

InChIKey

InChIKey=SHFDSTQYQKWURG-UHFFFAOYSA-N

Formula

C26H29ClN4O4S

Mass

529.05

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Taxonomic Classification

Taxonomy Tree

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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Phenoxy compound - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboximidamide - Secondary amine - Amidine - Carboxylic acid amidine - Ether - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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