Compound Identification
SMILES
COC(=O)[C@@H](NC(=O)C1=CC=C(CP(=O)(OC)OC)C=C1)[C@@H](C)C(C(=O)OC)C(=O)OC
InChIKey
InChIKey=WBURRELMTWRUAI-LRDDRELGSA-N
Formula
C20H28NO10P
Mass
473.415
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 Alpha amino acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Fatty acid esters Dialkyl alkylphosphonates Phosphonic acid esters 1,3-dicarbonyl compounds Methyl esters Secondary carboxylic acid amides Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Phosphonic acid ester - Methyl ester - Organophosphonic acid derivative - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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