Compound Identification
SMILES
COC(=O)C1=CC2=C(C=C1)C1=NN=C(Cl)C(=C1)[C@H](CC(=O)NCCO2)NC(=O)OC(C)(C)C
InChIKey
InChIKey=KDUKNWMITBTALB-HNNXBMFYSA-N
Formula
C22H25ClN4O6
Mass
476.91
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
Alkyl aryl ethers Pyridazines and derivatives Aryl chlorides Benzenoids Carbamate esters Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolactam - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridazine - Heteroaromatic compound - Methyl ester - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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
Not available