Structure Information
Structure

Compound Identification

SMILES

CN1C(C)=CC(C(=O)COC(=O)CN2N=NC(=N2)C2=CC=C(Cl)C=C2)=C1C

InChIKey

InChIKey=YCBYVFJINSCVHK-UHFFFAOYSA-N

Formula

C18H18ClN5O3

Mass

387.82

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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 - Phenyltetrazole - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Vinylogous amide - Heteroaromatic compound - Tetrazole - Pyrrole - Azole - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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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