Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](NC(=O)C1=CC=CS1)C(=O)N1CCN(CC1)C1=CC=CC(C)=C1C

InChIKey

InChIKey=OQDQYKBUNRITSE-HXUWFJFHSA-N

Formula

C22H29N3O2S

Mass

399.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - 2-heteroaryl carboxamide - O-xylene - Xylene - Aniline or substituted anilines - Dialkylarylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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