Compound Identification
SMILES
C=CCOC(=O)C1=CC=C(C=C1)C1=NN(C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)OCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12
InChIKey
InChIKey=DIGXORKUZQCJLS-WWKUNUPPSA-N
Formula
C37H39N5O6S
Mass
681.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Biotin and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Biotin and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Biotin and derivatives
Alternative Parents
Phenylpyrazoles Benzoic acid esters Indazoles Thienoimidazolidines Benzoyl derivatives N-acyl amines Imidazolidinones Thiophenes Heteroaromatic compounds Thiolanes Secondary carboxylic acid amides Carboxylic acid esters Ureas Azacyclic compounds Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Indazole - Benzopyrazole - Benzoyl - Thienoimidazolidine - N-acyl-amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Imidazolidinone - Fatty amide - Imidazolidine - Pyrazole - Thiolane - Thiophene - Heteroaromatic compound - Azole - Urea - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkylthioether - Azacycle - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
External Descriptors
Not available