Structure Information
Structure

Compound Identification

SMILES

Cl.[Cl-].CCCCN1CN(N2CCN(CC2)C2=CC=C(OCC3COC(CN4C=[N+](C=N4)C(C)OC(=O)N(C)C4=C(COC(=O)CNC)C=CC=N4)(O3)C3=C(Cl)C=C(Cl)C=C3)C=C2)C(=O)N1

InChIKey

InChIKey=BTQNRQKVPVUDTK-UHFFFAOYSA-N

Formula

C42H55Cl4N11O8

Mass

983.77

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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 - N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Phenol ether - Aniline or substituted anilines - 1,3-dichlorobenzene - Alkyl aryl ether - Ketal - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Imidolactam - Piperazine - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,4-diazinane - Meta-dioxolane - Azole - Heteroaromatic compound - Semicarbazide - Carbamic acid ester - 1,2,4-triazole - Triazolidine - 1,2,4-triazolidinone - Tertiary amine - Carboxylic acid ester - Secondary amine - Acetal - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic chloride salt - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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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