Compound Identification
SMILES
[Sn].C1=CC=CC=C1.CC1CCC(Cl)C(NC2CCCCC2C(O)=O)C1Cl
InChIKey
InChIKey=XCYDWELHJWTAKY-UHFFFAOYSA-N
Formula
C20H29Cl2NO2Sn
Mass
505.07
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
Cyclohexylamines Cyclohexyl halides Benzene and substituted derivatives Aromatic hydrocarbons Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Unsaturated hydrocarbons Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Cyclohexyl halide - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Aromatic hydrocarbon - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Alkyl chloride - Alkyl halide - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Unsaturated hydrocarbon - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon - 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