Structure Information
Structure

Compound Identification

SMILES

Clc1ccc(Cc2nn(C3CCCN(CC(=O)NC4CCSC4=O)CC3)c(=O)c3ccccc23)cc1

InChIKey

InChIKey=TXEOIRYMEQHUTO-UHFFFAOYSA-N

Formula

C27H29ClN4O3S

Mass

525.06

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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 heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phthalazinone - Diazanaphthalene - Phthalazine - Azepane - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Benzenoid - Carbothioic s-lactone - Heteroaromatic compound - Thiolane - Thiocarboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Thiolactone - Carboxamide group - Lactam - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic 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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