Compound Identification
SMILES
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]2CC3=C(NC4=C3C=CC(O)=C4N3CCN(CC3)C(=O)CCCCCNC(=O)CON)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@H](O)CO)C(=O)N2
InChIKey
InChIKey=BXHNUNLIRDNODI-DAODWTKQSA-N
Formula
C51H76N14O17S
Mass
1189.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
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Level 6
Cyclic peptides
- Level 7 Amatoxins
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Level 6
Cyclic peptides
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Level 5
Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
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
Oligopeptides N-arylpiperazines 3-alkylindoles Alpha amino acids and derivatives Hydroxyindoles Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Pyrroles Pyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Sulfoxides Secondary alcohols Secondary carboxylic acid amides Lactams Sulfinyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - N-arylpiperazine - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Indole - Indole or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperazine - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Tertiary amine - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Primary alcohol - Alcohol - Carbonyl group - Organic nitrogen compound - 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