Compound Identification
SMILES
CC(C)(C)C1=C(C=CC=C1N)C(O)=O.CC1=CC2=C(C=C1)N(C[C@@H](NC(=O)NC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(=O)N2)C1CCCCC1
InChIKey
InChIKey=FXHUTCWNZKFGJY-GNAFDRTKSA-N
Formula
C39H51N5O6
Mass
685.866
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
Benzoic acid esters Aminobenzoic acids N-phenylureas Alpha amino acids and derivatives Benzoic acids Diaminotoluenes Phenylpropanes Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Cyclohexylamines 1,4-diazepines Amino acids Ureas Secondary carboxylic acid amides Carboxylic acid esters Lactams Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Benzodiazepine - N-phenylurea - Alpha-amino acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoate ester - Phenylpropane - Diaminotoluene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Cyclohexylamine - Para-diazepine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Urea - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - 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