Compound Identification
SMILES
[Ca++].CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C[C@@H](NC(=O)NC2=CC=CC(=C2)C(C)(C)C([O-])=O)C1=O)C1CCCCC1.CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C[C@@H](NC(=O)NC2=CC=CC(=C2)C(C)(C)C([O-])=O)C1=O)C1CCCCC1
InChIKey
InChIKey=DAUCKJUHXVODKO-WLHYKHABSA-L
Formula
C64H82CaN8O10
Mass
1163.484
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Alpha amino acids and derivatives N-phenylureas Phenylpropanes Dialkylarylamines 1,4-diazepines Cyclohexylamines Tertiary carboxylic acid amides Ureas Amino acids Carboxylic acid salts Ketones Lactams Carboxylic acids Organic calcium salts Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Not available
Substituents
Benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Phenylpropane - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Para-diazepine - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Ketone - Lactam - Tertiary amine - Urea - Monocarboxylic acid or derivatives - Organic calcium salt - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic zwitterion - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available