Compound Identification
SMILES
COC1=C(NC2=NC=NC(NC3=CC(Cl)=C(F)C=C3)=C2)C=C(NC(=O)\C=C\CN(C)CCCCC(CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(N)=O)C=C1
InChIKey
InChIKey=NREWHRVWGQDLEU-XQUPZHSKSA-N
Formula
C51H73ClFN11O9S
Mass
1070.72
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
Anilides Methoxyanilines Anisoles Thienoimidazolidines Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidazolidinones Imidolactams N-acyl amines Heteroaromatic compounds Thiophenes Thiolanes Trialkylamines Primary carboxylic acid amides Secondary carboxylic acid amides Amino acids and derivatives Ureas Dialkylthioethers Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Thienoimidazolidine - N-arylamide - Alkyl aryl ether - Fluorobenzene - Aminopyrimidine - Halobenzene - Chlorobenzene - Imidazolidinone - N-acyl-amine - Fatty amide - Aryl chloride - Fatty acyl - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Imidazolidine - Thiolane - Thiophene - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Urea - Amino acid or derivatives - Azacycle - Dialkylthioether - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen 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