Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCNCCC(=O)N2CCCSC3=C2C=CS3)C=C1

InChIKey

InChIKey=INWPNKAOHQTOAY-UHFFFAOYSA-N

Formula

C20H26N2O3S2

Mass

406.56

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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 - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Thioether - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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