Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CC3=C(NC4=C3C=CC(O)=C4)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC([C@@H](C)[C@@H](C)O)C(=O)N2

InChIKey

InChIKey=WVHGJJRMKGDTEC-DYTWYUBMSA-N

Formula

C39H54N10O13S

Mass

902.98

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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 - Alpha-amino acid or derivatives - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - 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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