Compound Identification
SMILES
CC1C=CC=CC=CC(=O)NC2=C(SCC(NC(C)=O)C(O)=O)C(=O)C3=C(C(O)=C(C)C=C3C2=O)C(=O)C(C)=CC(C)C(O)C(C)C=CC(O)CC=C(C)C(=O)CC1O
InChIKey
InChIKey=VEDOKYSBCNXSGP-UHFFFAOYSA-N
Formula
C44H52N2O12S
Mass
832.96
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
N-acyl-alpha amino acids Cysteine and derivatives Naphthoquinones Aryl ketones Quinones Phenols Vinylogous thioesters Vinylogous amides Vinylogous acids Acetamides Thioenol ethers Lactams Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Polyols Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolactam - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Naphthoquinone - Alpha-amino acid or derivatives - Naphthalene - Quinone - Aryl ketone - Phenol - Vinylogous thioester - Benzenoid - Acetamide - Vinylogous amide - Vinylogous acid - Thioenolether - Secondary carboxylic acid amide - Secondary alcohol - Cyclic ketone - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - 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