Compound Identification
SMILES
[Cl-].[K+].OC(=O)CCNC(=O)C(CC1=CC=CC=C1)CP(O)(=O)OCCC1=CC=CC=C1
InChIKey
InChIKey=MYNJKHDWLQGTQW-UHFFFAOYSA-M
Formula
C21H26ClKNO6P
Mass
493.96
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
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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
Phosphonic acid esters Benzene and substituted derivatives Fatty amides Organic phosphonic acids Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organic metal halides Organic oxides Organic chloride salts Organic potassium salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Carbonyl compounds Organophosphorus compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Monocyclic benzene moiety - Fatty amide - Phosphonic acid ester - Benzenoid - Fatty acyl - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic chloride salt - 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