Compound Identification
SMILES
CC(C)(C)N1C(=O)C2C(NC(CC3=CC=C(O)C=C3)(C2C1=O)C(O)=O)C1=CC=C(Cl)S1
InChIKey
InChIKey=CEGRGMLCGNSGHZ-UHFFFAOYSA-N
Formula
C22H23ClN2O5S
Mass
462.95
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
Alpha amino acids Amphetamines and derivatives Pyrrolidine carboxylic acids 1-hydroxy-2-unsubstituted benzenoids 2,5-disubstituted thiophenes Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl chlorides Dicarboximides Heteroaromatic compounds Amino acids Lactams Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Thiophene - Pyrrolidine - Dicarboximide - Carboxylic acid imide - Amino acid - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Carbonyl group - Amine - Organochloride - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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