Structure Information
Structure

Compound Identification

SMILES

CC(N)C(O)=O.CC(=O)NC1=C2SCC(C=C2)=C1

InChIKey

InChIKey=ROQDXIIKWKFYGE-UHFFFAOYSA-N

Formula

C12H16N2O3S

Mass

268.33

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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

Not available

Substituents

Alanine or derivatives - Alpha-amino acid - N-acetylarylamine - Aryl thioether - N-arylamide - Alkylarylthioether - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic 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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