Structure Information
Structure

Compound Identification

SMILES

C1CCC(CC1)NC1CCCCC1.CCO[C@@H](CC1=CC=C(OCCN2CCSC3=CC=CC=C23)C=C1)C(O)=O

InChIKey

InChIKey=AGQCKPISGYTILM-FYZYNONXSA-N

Formula

C33H48N2O4S

Mass

568.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Not available

Substituents

3-phenylpropanoic-acid - Benzothiazine - Phenoxy compound - Aryl thioether - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Cyclohexylamine - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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