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Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(NC2=C(Cl)C(F)=NC(F)=N2)C=C1)C1=C(C=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChIKey

InChIKey=NGHBKVPQCGDWEU-UHFFFAOYSA-L

Formula

C20H12ClF2N7Na2O7S2

Mass

645.9

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Monocyclic benzene moiety - Pyrazolinone - Aryl halide - Pyrimidine - Imidolactam - Aryl fluoride - Aryl chloride - Benzenoid - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Organic metal halide - Azacycle - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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