Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@H]4CC5=CNC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C

InChIKey

InChIKey=UJYGDMFEEDNVBF-XJUOHTAZSA-N

Formula

C31H39N5O5

Mass

561.683

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Ergopeptines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ergopeptine - Alpha-dipeptide - Cyclic alpha peptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Valine or derivatives - Quinoline-3-carboxamide - Pyrroloquinoline - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Quinoline - Alpha-amino acid or derivatives - Isoindole or derivatives - Indole or derivatives - Indole - N-acylpyrrolidine - N-alkylpiperazine - Benzenoid - Piperazine - Oxazolidinone - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrroline - Pyrrolidine - Pyrrole - Oxazolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ergopeptines. These are ergoline derivatives that contain a tripeptide structure attached to the basic ergoline ring in the same location as the amide group of the lysergic acid derivatives.

External Descriptors

Not available

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