Structure Information
Structure

Compound Identification

SMILES

CCC(O[N+]([O-])=O)C(=O)NC(CS)C(O)=O

InChIKey

InChIKey=VCINCSYHGZNSJT-UHFFFAOYSA-N

Formula

C7H12N2O6S

Mass

252.24

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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

Aliphatic acyclic compounds

Substituents

N-acyl-alpha-amino acid - Cysteine or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Alkyl nitrate - Organic nitrate - Carboxamide group - Organic nitro compound - Organic nitric acid or derivatives - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aliphatic acyclic 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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