Compound Identification
SMILES
CC(C)CN(CC(=O)N(CCC1=CNC2=CC=CC=C12)CC1=CC=C(C=C1)N(C)C)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=LXJLMAPIBUKVPV-UHFFFAOYSA-N
Formula
C32H37BrN4O2
Mass
589.578
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
3-alkylindoles 3-halobenzoic acids and derivatives Alpha amino acids and derivatives Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Substituted pyrroles Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - Substituted pyrrole - Aryl bromide - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available