Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC(COC(=O)CCCC[C@@H]2SCC3C2N(CC2=CC=CC(=C2)C(C)=O)C(=O)N3CC2=CC=CC(=C2)C(C)=O)=CC=C1

InChIKey

InChIKey=NSVGQOMHAZXAPH-PBRKIQJOSA-N

Formula

C37H40N2O6S

Mass

640.8

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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 - Biotin - Alkyl-phenylketone - Benzyloxycarbonyl - Acetophenone - Phenylketone - Benzoyl - Thienoimidazolidine - Aryl alkyl ketone - Aryl ketone - Fatty acid ester - Imidazolidinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Imidazolidine - Thiolane - Thiophene - Carboxylic acid ester - Tertiary amine - Ketone - Urea - Amino acid or derivatives - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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