Structure Information
Structure

Compound Identification

SMILES

Cl.[I-].CNCC(=O)OCC1=CC(OC)=C(OC)C=C1N(C)C(=O)OC[N+]1=CN(CC(O)(C(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)C2=C(F)C=CC(F)=C2)N=C1

InChIKey

InChIKey=PBVNZEWSYMNEFV-UHFFFAOYSA-M

Formula

C37H39ClF2IN7O7S

Mass

926.17

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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 - Phenylcarbamic acid ester - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Methoxyaniline - Phenol ether - Phenoxy compound - Benzonitrile - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - 2,4-disubstituted 1,3-thiazole - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Thiazole - Tertiary alcohol - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Organic zwitterion - Organic salt - Hydrochloride - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - Alcohol - 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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