Structure Information
Structure

Compound Identification

SMILES

CC[C@H](O)[C@@H]1C(=O)N2C(C(O)=O)=C(SC3CCN(C3)C(C)C(=O)C3=CC=CC=C3)S[C@]12SCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=DWUHYWQNTKCUAV-UIXADRATSA-N

Formula

C29H31N3O7S3

Mass

629.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Alpha-amino acid or derivatives - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Penem - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Benzoyl - N-alkylpyrrolidine - Benzenoid - Vinylogous thioester - Monocyclic benzene moiety - Meta-thiazoline - Tertiary carboxylic acid amide - Thiazole - Beta-lactam - Alpha-aminoketone - Pyrrolidine - C-nitro compound - Tertiary aliphatic amine - Lactam - Carboxamide group - Organic nitro compound - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Amino acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Alcohol - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxide - Organonitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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