Structure Information
Structure

Compound Identification

SMILES

CCCOC1=CC2=C(C=C1)C1=C(N2)S(=O)CC2NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(C1)NC(=O)C(NC(=O)C1CC(O)CN1C(=O)C(CC(N)=O)NC2=O)C(C)C(O)CO)C(C)CC

InChIKey

InChIKey=PHNJEXYTAAIVFD-UHFFFAOYSA-N

Formula

C42H60N10O14S

Mass

961.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Peptides - Cyclic peptides

Direct Parent

Amatoxins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Amatoxin skeleton - Alpha-oligopeptide - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Sulfoxide - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as amatoxins. These are cyclic peptides containing eight amino acid residues arranged in a macrobicyclic motif.

External Descriptors

Not available

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