Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H](C([O-])=O)C(C)(C)SN=O

InChIKey

InChIKey=ZIIQCSMRQKCOCT-YFKPBYRVSA-M

Formula

C7H11N2O4S

Mass

219.24

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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 - Valine or derivatives - Branched fatty acid - Thia fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Acetamide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic s-nitroso compound - Nitrosothiol - Nitrosothiol-group - Organic nitroso compound - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - 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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