Compound Identification
SMILES
CCOC(=O)[C@@](CCSC)(NC)N(N1C2=CC=CC=C2C(=NC(C(=O)C(N)CSSCC)C1=O)C1=CC=CC=C1)C(C)=O
InChIKey
InChIKey=WGJWOJJTJKIACN-GRFFYOSDSA-N
Formula
C30H39N5O5S3
Mass
645.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Benzene and substituted derivatives Acetamides Alpha-amino ketones Ketimines Carboxylic acid esters Carboxylic acid hydrazides Dialkyldisulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Alpha-aminoketone - Acetamide - Amino acid or derivatives - Carboxylic acid ester - Dialkyldisulfide - Carboxylic acid hydrazide - Ketimine - Ketone - Organic disulfide - Carboxylic acid derivative - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Imine - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available