Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)C[C@H](NC(=O)CSC1=CC2=C(OCCO2)C=C1)C1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=XBNUCNKAGZTVDO-KRWDZBQOSA-N

Formula

C22H24N2O7S

Mass

460.5

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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 - Benzodioxane - Benzo-1,4-dioxane - Nitrobenzene - Nitroaromatic compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Fatty acid ester - Fatty acyl - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - 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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