Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(C=C1)N(C(C)C(=O)NCCSCC1=CC=CC(C)=C1)S(C)(=O)=O

InChIKey

InChIKey=OTVUAXZVOMYFBB-UHFFFAOYSA-N

Formula

C21H27ClN2O4S2

Mass

471.03

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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 - Alpha amino acids and derivatives

Direct Parent

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alanine or derivatives - Sulfanilide - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Halobenzene - Chlorobenzene - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Thioether - Dialkylthioether - Sulfenyl compound - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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