Structure Information
Structure

Compound Identification

SMILES

Cl.[Cl-].CNCC(=O)OC1=C(C)C=C(C[N+]2=CN(C[C@@](O)([C@@H](C)N3CCN(C3=O)C3=CC=C(C=C3)N3C=NN=N3)C3=C(F)C=C(F)C=C3)N=C2)C=C1C

InChIKey

InChIKey=PYASFHYYECUUCX-SHZDQPSCSA-M

Formula

C34H38Cl2F2N10O4

Mass

759.64

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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 - Phenylimidazolidine - Phenyltetrazole - Phenol ester - Phenylpropane - Phenoxy compound - M-xylene - Xylene - Fluorobenzene - Halobenzene - Imidazolidinone - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl halide - Imidazolidine - Heteroaromatic compound - Tertiary alcohol - Tetrazole - 1,2,4-triazole - Azole - Carboxylic acid ester - Urea - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organoheterocyclic compound - Hydrochloride - Organic chloride salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic alcohol - Organic salt - Amine - 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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