Structure Information
Structure

Compound Identification

SMILES

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(OS(C)(=O)=O)[C@@H]2CCCN2C1=O)C(C)C

InChIKey

InChIKey=VTTPPEFVGTXKDU-BYJHUQIUSA-N

Formula

C33H42BrN5O7S

Mass

732.69

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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 - Aryl bromide - Aryl halide - 1,4-diazinane - Benzenoid - Oxazolidinone - Piperazine - Substituted pyrrole - Sulfonic acid ester - Organosulfonic acid ester - Pyrrolidine - Pyrrole - Sulfonyl - Oxazolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Methanesulfonate - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Orthocarboxylic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxide - Organopnictogen compound - Amine - Organohalogen compound - Organobromide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur 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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