Compound Identification
SMILES
CCOC(=O)C(NC(=O)C1=CC=CC=C1)C1NC(C(O)=O)C(C)(C)S1
InChIKey
InChIKey=HQEJTFRMUYHJJT-UHFFFAOYSA-N
Formula
C17H22N2O5S
Mass
366.43
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 Benzoyl derivatives Dicarboxylic acids and derivatives Thiazolidines Secondary carboxylic acid amides Amino acids Carboxylic acid esters Thiohemiaminal derivatives Secondary amines Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
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 - Benzoyl - Dicarboxylic acid or derivatives - Thiazolidine - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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