Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ACTILGDQKADSRK-DYVFJYSZSA-N

Formula

C18H20N2O6S

Mass

392.43

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Nitrobenzene - Benzenesulfonyl group - Phenylpropane - Nitroaromatic compound - Fatty acid ester - Toluene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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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