Structure Information
Structure

Compound Identification

SMILES

CCC(C)C1NC(=O)CNC(=O)C2CC3=C(NC4=C3C=CC(OC)=C4)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(O)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2

InChIKey

InChIKey=CBRRSTVGSZVQDG-UHFFFAOYSA-N

Formula

C40H55N9O15S

Mass

933.99

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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 - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Sulfoxide - Carboxamide group - Lactam - Organoheterocyclic compound - Sulfinyl compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic oxide - Organic nitrogen 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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