Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]3C[C@@]1(O)NC(=O)O3)=C(Cl)C(OC)=C2

InChIKey

InChIKey=WKPWGQKGSOKKOO-RSFHAFMBSA-N

Formula

C34H46ClN3O10

Mass

692.2

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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

Macrolactam - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - Anisole - Alkyl aryl ether - 1,3-oxazinane - Oxazinane - Benzenoid - Aryl halide - Aryl chloride - Carbamic acid ester - Tertiary carboxylic acid amide - Acetamide - Lactam - Carboxamide group - Carboxylic acid ester - Carbonic acid derivative - Alkanolamine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - 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

CHEBI:6701 : carbamate ester - organic heterotetracyclic compound - organochlorine compound - epoxide - alpha-amino acid ester - maytansinoid
LIPIDMAPS (LMPK04000017) : Macrolides and lactone polyketides
KEGG (C10606) : Macrolides and lactone polyketides

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