Compound Identification
SMILES
CC[C@H]([C@H](NC1=C(SC(C)C)C(=O)C11CCOCC1)C(O)=O)C1=CC=C(NC2=NC=CC3=C2C=NC=C3)C=C1
InChIKey
InChIKey=BQTZEZVVHWLHRY-UPVQGACJSA-N
Formula
C30H34N4O4S
Mass
546.69
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
Naphthyridines L-alpha-amino acids Phenylpropanes Aniline and substituted anilines Aminopyridines and derivatives Aralkylamines Oxanes Imidolactams Vinylogous amides Heteroaromatic compounds Thioenol ethers Amino acids Ketones Sulfenyl compounds Oxacyclic compounds Enamines Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Naphthyridine - L-alpha-amino acid - Phenylpropane - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Oxane - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Ketone - Thioenolether - Amino acid - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Sulfenyl compound - Secondary amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic 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