Structure Information
Structure

Compound Identification

SMILES

COC[C@@H]1NC(=O)CC\C=C/CN(C2=CC=C(OC)C=C2)C(=O)[C@H]2N(CCCCO)C(=O)[C@@H]3[C@H]([C@@H]4O[C@]23C=C4Br)C(=O)O[C@H]1C1=CC=CC=C1

InChIKey

InChIKey=BWRCYXILOFSCHK-AXDJOLIMSA-N

Formula

C37H42BrN3O9

Mass

752.659

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Macrolactams

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Macrolactams

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Macrolide - Macrolactam - Alpha-amino acid or derivatives - Isoindolone - Isoindole or derivatives - Isoindoline - Methoxyaniline - Phenoxy compound - Phenol ether - Anisole - Furopyrrole - Methoxybenzene - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Oxolane - Dihydrofuran - Furan - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Lactone - Carboxylic acid ester - Lactam - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Bromoalkene - Ether - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

External Descriptors

Not available

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