Compound Identification
SMILES
COC(=O)[C@@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C
InChIKey
InChIKey=HGQXQQSZQDSAFM-VXKWHMMOSA-N
Formula
C26H32N2O6
Mass
468.55
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 Alpha amino acid esters Biphenyls and derivatives Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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