Compound Identification
SMILES
OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C1=CC=C(C=C1)N1N=C(C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)OCC=C
InChIKey
InChIKey=MCJVYTFJAWQPHA-MGFLSCNBSA-N
Formula
C40H44N6O7S
Mass
752.89
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
Hippuric acids N-acyl-alpha amino acids Phenylpyrazoles Benzoic acid esters Indazoles Thienoimidazolidines Benzoyl derivatives Medium-chain fatty acids Heterocyclic fatty acids N-acyl amines Imidazolidinones Thiolanes Thiophenes Heteroaromatic compounds Carboxylic acid esters Ureas Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Hippuric acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - Benzoate ester - Benzamide - Indazole - Benzoic acid or derivatives - Benzopyrazole - Thienoimidazolidine - Benzoyl - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty acyl - Monocyclic benzene moiety - Imidazolidinone - N-acyl-amine - Fatty amide - Benzenoid - Azole - Heteroaromatic compound - Thiophene - Thiolane - Imidazolidine - Pyrazole - Secondary carboxylic acid amide - Urea - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid - Thioether - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organic nitrogen 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