Compound Identification
SMILES
CC1=CC=C(C=C1)[S@](=O)C([C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=GVZCCQSJKNMKQT-TUUXUACRSA-N
Formula
C27H31NO5S2
Mass
513.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
P-toluenesulfonamides Benzenesulfonamides Phenyl sulfoxides Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Aminosulfonyl compounds Sulfoxides Carboxylic acid esters Sulfinyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - Tosyl compound - Phenyl sulfoxide - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Sulfoxide - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - 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