Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1)C(=O)N1C(C(C)C)C(=O)N2CCCC2C1=O

InChIKey

InChIKey=HGFXZZULRBUAON-UHFFFAOYSA-N

Formula

C31H39N5O4

Mass

545.684

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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

Ergopeptams

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ergopeptam-skeleton - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Valine or derivatives - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Carboxylic acid imide, n-substituted - Piperazine - Tertiary carboxylic acid amide - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ergopeptams. These are tripeptidic noncyclol ergot alkaloids. The structure of ergopeptams is similar to ergopeptines except that L-proline is exchanged by D-proline, and the tripeptide chain is a noncyclol lactam.

External Descriptors

Not available

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