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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Macrolactams
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolactams
Alternative Parents
Alpha amino acid esters Alanine and derivatives Anisoles Alkyl aryl ethers 1,3-oxazinanes Aryl chlorides Tertiary carboxylic acid amides Acetamides Carbamate esters Organic carbonic acids and derivatives Lactams Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Alkanolamines Dialkyl ethers Epoxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
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