Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C(C=C1)C(=O)SC1=CC=CC=C1C(=O)NCCC(N)=O

InChIKey

InChIKey=BGXCZNLQKHEZDS-UHFFFAOYSA-N

Formula

C20H22N2O6S

Mass

418.46

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid or derivatives - Sulfenyl compound - Ether - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - 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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