Compound Identification
SMILES
COC1=CC=CC(CNC[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)C(CC(O)=O)CS(=O)(=O)CCC(C)C)=C1
InChIKey
InChIKey=XVPFMZNQQXQGTI-HUASTKEASA-N
Formula
C28H40N2O7S
Mass
548.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Amphetamines and derivatives Anisoles Benzylamines Methoxybenzenes Phenylmethylamines Phenoxy compounds Alkyl aryl ethers Thia fatty acids Aralkylamines Hydroxy fatty acids N-acyl amines Sulfones 1,2-aminoalcohols Secondary carboxylic acid amides Amino acids Secondary alcohols Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Phenoxy compound - Anisole - Benzylamine - Phenylmethylamine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Hydroxy fatty acid - Thia fatty acid - Aralkylamine - Fatty amide - Fatty acyl - N-acyl-amine - Sulfone - Sulfonyl - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available