Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC)C(I)=CC(C=NNC(=O)CCNC(=O)C2=CC=CC=C2F)=C1

InChIKey

InChIKey=ZQEJWLXBDXPEAL-UHFFFAOYSA-N

Formula

C21H23FIN3O4

Mass

527.335

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Iodobenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Vinylogous halide - Carboxamide group - Iodoalkene - Fluoroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl fluoride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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