Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@]1(CCC(=O)O1)N1OC[C@H](NC(=O)CS(=O)(=O)C=C(Cl)Cl)C1=O

InChIKey

InChIKey=BLANQIRVBIZURB-QTTZVWFDSA-N

Formula

C12H12Cl2N2O9S

Mass

431.19

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxazolidinone - Isoxazolidine - Oxolane - Sulfone - Sulfonyl - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Carboxylic acid - Carbonyl group - Organohalogen compound - Organic oxide - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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