Structure Information
Structure

Compound Identification

SMILES

CCC(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)N[C@@H]([C@@H](C)C(O)COC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC)C(O)=O)C(=O)N2

InChIKey

InChIKey=CGLIKBLWQIOQEL-APMKKZGXSA-N

Formula

C60H87N17O25S3

Mass

1542.63

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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 - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Tricarboxylic acid or derivatives - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Benzenoid - Carbonic acid diester - Fatty acyl - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Lactam - Dialkyldisulfide - Carbonic acid derivative - Organic disulfide - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Sulfinyl compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Azacycle - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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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