Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C)N(C)C(=O)CC1=C2SC(C)CC3=C(OCC4=NC=C(C=C4)C4=CC=CC=C4)C=CC(N1CC1=CC=C(Cl)C=C1)=C23

InChIKey

InChIKey=PNKFKTUAXFBVSL-UHFFFAOYSA-N

Formula

C37H36ClN3O4S

Mass

654.22

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - 3-phenylpyridine - Alanine or derivatives - N-alkylindole - Indole or derivatives - 2-benzothiopyran - Benzothiopyran - Indole - Aryl thioether - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Substituted pyrrole - Thiopyran - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Thioether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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