Structure Information
Structure

Compound Identification

SMILES

CCC(C)C1NC(=O)CNC(=O)C2CC3=C(NC4=CC=CC=C34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2

InChIKey

InChIKey=BOHCOUQZNDPURZ-UHFFFAOYSA-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 - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Pyrrole - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Azacycle - Sulfinyl compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - 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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