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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
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Class
Ergoline and derivatives
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Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptines
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Subclass
Lysergic acids and derivatives
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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
Ergopeptines
Alternative Parents
Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Benzenoids Oxazolidinones Sulfonic acid esters Aryl bromides Organosulfonic acid esters Substituted pyrroles Tertiary carboxylic acid amides Sulfonyls Pyrrolidines Heteroaromatic compounds Methanesulfonates Orthocarboxylic acid derivatives Trialkylamines Lactams Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organobromides Organic oxides
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