Structure Information
Structure

Compound Identification

SMILES

O=C(NC[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)C1=CSC=N1

InChIKey

InChIKey=KFQMVMSMRNCTET-UWVGGRQHSA-N

Formula

C13H18N4O2S2

Mass

326.43

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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 amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid amide - 2-heteroaryl carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Dialkylthioether - Hemithioaminal - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

CHEBI:40696 : monocarboxylic acid amide - 1,3-thiazole - pyrrolidinecarboxamide - thiazolidines

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