Compound Identification
SMILES
C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC1=CC=C(OCC2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=QSWHAHRQHDGPMR-UHFFFAOYSA-N
Formula
C33H43ClNO4
Mass
553.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Chlorobenzenes Fatty acid esters Aryl chlorides Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Aryl halide - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available