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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-CYAGOSPFSA-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

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