Structure Information
Structure

Compound Identification

SMILES

NC(CCCN=C(N)N)C(O)=O.CCCCO[C@@H](CC1=CC=C(OCCN2CCSC3=CC=CC=C23)C=C1)C(O)=O

InChIKey

InChIKey=LOXSPZMKGXQSEI-BOXHHOBZSA-N

Formula

C29H43N5O6S

Mass

589.75

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Benzothiazine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Aryl thioether - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Alkylarylthioether - Para-thiazine - Benzenoid - Fatty acid - Monocyclic benzene moiety - Tertiary amine - Guanidine - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Thioether - Amine - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Primary 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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