Compound Identification
SMILES
CC(C)(C)SC[C@@H]1NC(=O)[C@H](CC(O)=O)CC(=O)CNC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)CSC[C@H](NC(=O)[C@H](CC2=CC=CC=C2)CC1=O)C(=O)CCCOCCOCCOCCCC(=O)COCC(=O)CCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O
InChIKey
InChIKey=JMKQKAGVCIMQTI-LRLKKJMISA-N
Formula
C100H169N15O35S3
Mass
2237.7
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 acids and derivatives Benzene and substituted derivatives Monosaccharides Cyclic ketones Guanidines Lactams Amino acids Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Carboximidamides Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Macrolactam - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Ketone - Lactam - Cyclic ketone - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - Carbonyl group - Aromatic heteromonocyclic 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