Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1)C(N)=O
InChIKey
InChIKey=HVWAVMPAPDQQMJ-UHFFFAOYSA-O
Formula
C22H28N3O3S
Mass
414.54
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
Valine and derivatives N-acyl-alpha amino acids and derivatives O-sulfanylbenzoic acids and derivatives Thiophenol esters Aryl thioethers Benzoyl derivatives Fatty acyl thioesters Fatty amides Pyridinium derivatives Heteroaromatic compounds Primary carboxylic acid amides Thioesters Secondary carboxylic acid amides Carbothioic S-esters Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 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 - Pyridinium - Fatty amide - Fatty acyl - Pyridine - Heteroaromatic compound - Primary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Organic cation - 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