Structure Information
Structure

Compound Identification

SMILES

CCC(=O)N[C@H](C(O)=O)C(C)(C)SN=O

InChIKey

InChIKey=XRIWLEWQNCECEP-ZCFIWIBFSA-N

Formula

C8H14N2O4S

Mass

234.27

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Valine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Organic s-nitroso compound - Carboxamide group - Nitrosothiol - Nitrosothiol-group - Secondary carboxylic acid amide - Organic nitroso compound - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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