Compound Identification
SMILES
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=CC=C1NC(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=LAXIQTOHMWJUIZ-UHFFFAOYSA-N
Formula
C27H25N3O5
Mass
471.513
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
-
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 Indolyl carboxylic acids and derivatives Phenylcarbamic acid esters 3-alkylindoles Benzyloxycarbonyls Benzoyl derivatives Fatty acid esters Substituted pyrroles Vinylogous amides Carbamate esters Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Indolyl carboxylic acid derivative - Phenylcarbamic acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Fatty acid ester - Substituted pyrrole - Fatty acyl - Carbamic acid ester - Pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic 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