Compound Identification
SMILES
CC(C)C(NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1)C(=O)N1C(CC2=CC=CC=C2)C(=O)N2CCCC2C1=O
InChIKey
InChIKey=KMDKLWZQLMBIBS-UHFFFAOYSA-N
Formula
C35H39N5O4
Mass
593.728
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
-
Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptams
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Subclass
Lysergic acids and derivatives
-
Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
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
Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Valine and derivatives Quinoline-3-carboxamides N-acyl-alpha amino acids and derivatives Pyrroloquinolines Alpha amino acid amides 3-alkylindoles Isoindoles and derivatives 2,5-dioxopiperazines Aralkylamines N-alkylpiperazines N-substituted carboxylic acid imides Benzene and substituted derivatives Heteroaromatic compounds Dicarboximides Tertiary carboxylic acid amides Pyrroles Pyrrolidines Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergopeptam-skeleton - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Quinoline-3-carboxamide - Pyrroloquinoline - Valine or derivatives - Alpha-amino acid amide - Quinoline - Alpha-amino acid or derivatives - 3-alkylindole - Isoindole or derivatives - Indole - Indole or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - Aralkylamine - N-alkylpiperazine - Piperazine - Carboxylic acid imide, n-substituted - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Lactam - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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