Compound Identification
SMILES
CC1=CC=C(C=C1)[C@@H](CC(O)=O)NC(=O)NC1=C(N=C(C)N(CC2=CC=CC=C2)C1=O)C1=CC=CC=N1
InChIKey
InChIKey=HYOOJVGONPJVJS-HSZRJFAPSA-N
Formula
C28H27N5O4
Mass
497.555
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Toluenes Pyrimidones Pyridines and derivatives Hydropyrimidines Heteroaromatic compounds Ureas Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Urea - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available