Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NS(=O)(=O)C2=CC=C(NC(O)CC(O)=O)C=C2)=NO1

InChIKey

InChIKey=BOXLQDPKUUKRKL-UHFFFAOYSA-N

Formula

C13H15N3O6S

Mass

341.34

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylalkylamine - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Hydroxy acid - Organic sulfonic acid or derivatives - Isoxazole - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Amino acid - Alkanolamine - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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