Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=C1)C1=NOC(CNC(=O)CCNS(C)(=O)=O)=N1

InChIKey

InChIKey=TUVLGNIBTLXDHD-UHFFFAOYSA-N

Formula

C14H18N4O4S

Mass

338.38

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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

Phenyl-1,2,4-oxadiazole - Beta amino acid or derivatives - Toluene - Organic sulfonic acid amide - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - 1,2,4-oxadiazole - Oxadiazole - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - 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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