Structure Information
Structure

Compound Identification

SMILES

O=C(CCNS(=O)(=O)C1=CC=CC2=NSN=C12)NC1=CC2=C(OCCO2)C=C1

InChIKey

InChIKey=FUIBYMAVVIPLDO-UHFFFAOYSA-N

Formula

C17H16N4O5S2

Mass

420.46

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - 2,1,3-benzothiadiazole - N-arylamide - Alkyl aryl ether - Para-dioxin - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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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