Compound Identification
SMILES
[Br-].NC(=O)CNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1
InChIKey
InChIKey=LHYGUVGMOLNUQR-UHFFFAOYSA-N
Formula
C19H22BrN3O3S
Mass
452.37
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
N-acyl-alpha amino acids and derivatives O-sulfanylbenzoic acids and derivatives Thiophenol esters Aryl thioethers Benzoyl derivatives Fatty acyl thioesters Pyridinium derivatives Heteroaromatic compounds Primary carboxylic acid amides Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Pyridinium - Heteroaromatic compound - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Carboxamide group - Thiocarboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organic salt - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic 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