Compound Identification
SMILES
CC(C)COC(=O)C[C@H](C[P+](C)(C)C)NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=DQYRVJDGFHDFGA-MRXNPFEDSA-N
Formula
C18H31NO4PS
Mass
388.48
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
P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Tetraalkylphosphonium compounds Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aminosulfonyl compound - Tetraalkylphosphonium compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic cation - 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