Compound Identification
SMILES
BrC1=CC=CC(COC(=O)CCCC[C@@H]2SC[C@H]3[C@@H]2N(CC2=CC(Br)=CC=C2)C(=O)N3CC2=CC(Br)=CC=C2)=C1
InChIKey
InChIKey=SAVACZFYSMTPOB-XEVVZDEMSA-N
Formula
C31H31Br3N2O3S
Mass
751.37
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
Benzyloxycarbonyls Thienoimidazolidines Bromobenzenes Fatty acid esters Aryl bromides Imidazolidinones Thiophenes Thiolanes Ureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Biotin - Benzyloxycarbonyl - Thienoimidazolidine - Fatty acid ester - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Imidazolidinone - Imidazolidine - Thiophene - Thiolane - Urea - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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