Compound Identification
SMILES
CN(CC(=O)OC1=C(F)C(F)=CC(F)=C1F)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChIKey
InChIKey=JVOPYLPRDNRCKM-PRXAMGSTSA-N
Formula
C19H21F4N3O4S
Mass
463.45
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
Alpha amino acid esters Phenol esters Thienoimidazolidines Phenoxy compounds Fluorobenzenes Aryl fluorides Imidazolidinones N-acyl amines Thiophenes Thiolanes Tertiary carboxylic acid amides Ureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Alpha-amino acid ester - Alpha-amino acid or derivatives - Phenol ester - Phenoxy compound - Thienoimidazolidine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazolidinone - N-acyl-amine - Thiophene - Imidazolidine - Thiolane - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Urea - Azacycle - Dialkylthioether - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - 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