Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC(NC(=O)C1=CC=C(CCC(=O)NC2=NCCCN2)S1)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=OXVBGNHXQPUFKF-UHFFFAOYSA-N

Formula

C22H24N4O6S

Mass

472.52

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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 - Benzodioxole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboximidamide - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen 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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