Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1CS[C@@H](N1C(=O)C1=NC=CN=C1N)C1=CC=CC=C1

InChIKey

InChIKey=WCOLPQOHWMWOMZ-XHDPSFHLSA-N

Formula

C16H16N4O3S

Mass

344.39

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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

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Aminopyrazine - Monocyclic benzene moiety - Pyrazine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Dialkylthioether - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic 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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