Compound Identification
SMILES
CCC(NC(=O)C1=CC=CC=C1SC(=O)C(C)(C)C)C(N)=O
InChIKey
InChIKey=NOEZUKHZOPKKON-UHFFFAOYSA-N
Formula
C16H22N2O3S
Mass
322.42
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 Benzoyl derivatives Aryl thioethers Fatty amides Thioesters Secondary carboxylic acid amides Primary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic 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 - Fatty amide - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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