Structure Information
Structure

Compound Identification

SMILES

COC1=NC(Cl)=NC(NC2=C(C=C(N=NC3C(C)=NN(C3=O)C3=CC=C(C=C3)S(O)(=O)=O)C(=C2)S(O)(=O)=O)S(O)(=O)=O)=N1

InChIKey

InChIKey=HUSJIKQIZAGNCL-UHFFFAOYSA-N

Formula

C20H17ClN8O11S3

Mass

677.03

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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 - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Aniline or substituted anilines - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - 1,3,5-triazine - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Aryl halide - Aryl chloride - Triazine - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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