Compound Identification
SMILES
CCOC(=O)CNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1
InChIKey
InChIKey=JIORYWHRLOYMAE-UHFFFAOYSA-O
Formula
C21H25N2O4S
Mass
401.5
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
Alpha amino acid esters 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 Thioesters Secondary carboxylic acid amides Carbothioic S-esters Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Sulfenyl compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - 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