Structure Information
Structure

Compound Identification

SMILES

O=C(CN1CCCN(CC1)C(=O)CN1C=CC(=N1)C1=CC=CS1)OCC1=CC=CC=C1

InChIKey

InChIKey=XDYSUOVXXCQXCU-UHFFFAOYSA-N

Formula

C23H26N4O3S

Mass

438.55

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Benzyloxycarbonyl - 1,4-diazepane - Diazepane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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