Compound Identification
SMILES
NC(CCCN=C(N)N)C(O)=O.CCOC(CC1=CC=C(NCCCC2CCC3=C(C2)C=CC(OS(C)(=O)=O)=C3)C=C1)C(O)=O
InChIKey
InChIKey=LOSHRHWUESMRSW-UHFFFAOYSA-N
Formula
C31H47N5O8S
Mass
649.8
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
Tetralins Alpha amino acids Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Sulfonic acid esters Organosulfonic acid esters Fatty acids and conjugates Sulfonyls Methanesulfonates Amino acids Guanidines Dialkyl ethers Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Sulfonic acid ester - Monocyclic benzene moiety - Fatty acid - Organosulfonic acid ester - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methanesulfonate - Guanidine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Secondary amine - Organic oxide - Amine - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic homopolycyclic 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