Compound Identification
SMILES
C[C@H]([C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC(C)=C1)C(=O)N1CCOCC1
InChIKey
InChIKey=GAPRWJXGEUZFJR-NQIIRXRSSA-N
Formula
C22H28N2O4S
Mass
416.54
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 Phenylpropanes Benzenesulfonyl compounds Organosulfonamides Morpholines Tertiary carboxylic acid amides Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Phenylpropane - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic 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