Compound Identification
SMILES
CC1=CC(Cl)=C(OCCOC2=CC=C(CC(CNC(O)=O)C(=O)N(CC3=C(Cl)C(Cl)=CC=C3)CC(F)(F)F)C=C2)C(Cl)=C1
InChIKey
InChIKey=ZJDTVLIKAZTUKF-UHFFFAOYSA-N
Formula
C29H27Cl4F3N2O5
Mass
682.34
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Carbamic acids Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 1,2-dichlorobenzene - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Chlorobenzene - Toluene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid - Carbamic acid derivative - Carboxamide group - Ether - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Alkyl fluoride - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available