Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)N1C(=O)C2C(NC(CC3=CC=C(O)C=C3)(C2C1=O)C(O)=O)C1=CC=C(Cl)S1

InChIKey

InChIKey=CEGRGMLCGNSGHZ-UHFFFAOYSA-N

Formula

C22H23ClN2O5S

Mass

462.95

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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 - Amphetamine or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Thiophene - Pyrrolidine - Dicarboximide - Carboxylic acid imide - Amino acid - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Carbonyl group - Amine - Organochloride - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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