Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=C(C=CC(=C1)S(O)(=O)=O)N1N=C(C(N=NC2=C(C=CC(NC3=NC(=NC(C)=C3Cl)S(C)(=O)=O)=C2)S(O)(=O)=O)C1=O)C([O-])=O

InChIKey

InChIKey=DTJYUQFJCKALBI-UHFFFAOYSA-M

Formula

C23H19ClN7NaO11S3

Mass

724.06

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