Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CS(=O)(=O)CC1=CC=C(N)C=C1)NC(C)=O

InChIKey

InChIKey=ATXAHOHCDMRCCL-UHFFFAOYSA-N

Formula

C13H18N2O5S

Mass

314.36

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Acetamide - Methyl ester - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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