Structure Information
Structure

Compound Identification

SMILES

CNCC(=O)OCCN(C(=O)OC(C)[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)C(=O)C(C)(C)C

InChIKey

InChIKey=KXWWTFXBLLSLNN-UHFFFAOYSA-N

Formula

C35H40F2N7O6S

Mass

724.8

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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 - Phenylpropane - Benzonitrile - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Thiazole - Tertiary alcohol - Dicarboximide - Carboxylic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen compound - Organic cation - 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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