Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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