Compound Identification
SMILES
NC(CCCN=C(N)N)C(O)=O.CCCCO[C@@H](CC1=CC=C(OCCN2CCSC3=CC=CC=C23)C=C1)C(O)=O
InChIKey
InChIKey=LOXSPZMKGXQSEI-BOXHHOBZSA-N
Formula
C29H43N5O6S
Mass
589.75
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 Benzothiazines Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers 1,4-thiazines Fatty acids and conjugates Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Carboximidamides Monoalkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Benzothiazine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Aryl thioether - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Alkylarylthioether - Para-thiazine - Benzenoid - Fatty acid - Monocyclic benzene moiety - Tertiary amine - Guanidine - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Thioether - Amine - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - 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