Compound Identification
SMILES
CSS[C@]1(C(C)C)N(C)C(=O)C2=CC3([C@H](Nc4ccccc34)N2C1=O)C12[C@@H](Nc3ccccc13)N1C(=O)[C@H](CO)N(C)C(=O)[C@@]1(O)[C@H]2O
InChIKey
InChIKey=BLMKZIUFTUOCIW-LRIPBUHTSA-N
Formula
C33H36N6O7S2
Mass
692.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Alpha amino acids and derivatives Thiodioxopiperazines Indoles Indolines Secondary alkylarylamines N-methylpiperazines Benzenoids Tertiary carboxylic acid amides Pyrrolines Pyrrolidines Pyrroles Secondary alcohols Dialkyldisulfides Lactams Sulfenyl compounds Alkanolamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloindole - Alpha-amino acid or derivatives - Indole - Dihydroindole - Thiodioxopiperazine - Dioxopiperazine - 2,5-dioxopiperazine - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Pyrroline - Dialkyldisulfide - Amino acid or derivatives - Carboxamide group - Lactam - Organic disulfide - Secondary alcohol - Secondary amine - Azacycle - Carboxylic acid derivative - Alkanolamine - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Organosulfur compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available