Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1CCC(NC(C(O)=O)C(C)(C)S)=N1

InChIKey

InChIKey=XYMKUTJACRZQTR-UHFFFAOYSA-N

Formula

C12H20N2O4S

Mass

288.36

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Valine or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Branched fatty acid - Heterocyclic fatty acid - Thia fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Imidolactam - Pyrroline - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidamide - Alkylthiol - Amidine - Carboxylic acid amidine - Carboxylic acid - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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