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Structure Information
Structure

Compound Identification

SMILES

CC(C)(SCC1=CC=CC=C1)C(NC(=O)C=C)C(O)=O

InChIKey

InChIKey=QMRAIPSDXFOOOM-UHFFFAOYSA-N

Formula

C15H19NO3S

Mass

293.38

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha-amino acid - Valine or derivatives - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Acrylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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