Structure Information
Structure

Compound Identification

SMILES

CC[C@H]([C@H](NC1=C(SC(C)C)C(=O)C11CCOCC1)C(O)=O)C1=CC=C(NC2=NC=CC3=C2C=NC=C3)C=C1

InChIKey

InChIKey=BQTZEZVVHWLHRY-UPVQGACJSA-N

Formula

C30H34N4O4S

Mass

546.69

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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

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Naphthyridine - L-alpha-amino acid - Phenylpropane - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Oxane - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Ketone - Thioenolether - Amino acid - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Sulfenyl compound - Secondary amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - 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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