Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)C(N)CN1C=C(N(CCCl)CCCl)C(=O)NC1=O

InChIKey

InChIKey=IFVRPPWOPZNAKO-UHFFFAOYSA-N

Formula

C13H21Cl3N4O4

Mass

403.69

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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 - Nitrogen mustard - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Urea - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Alkyl halide - Primary aliphatic amine - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - 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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