Compound Identification
SMILES
OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)SC1=CC(Br)=CC=C1
InChIKey
InChIKey=JPUIOOOIDKIHHL-NHCYSSNCSA-N
Formula
C13H14BrNO4S
Mass
360.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Kainoids
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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 - Kainoids
Direct Parent
4-arylsulfanyl-substituted kainoids
Alternative Parents
Proline and derivatives L-alpha-amino acids Thiophenol ethers Pyrrolidine carboxylic acids Alkylarylthioethers Bromobenzenes Thia fatty acids Aryl bromides Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-arylsulfanyl-substituted kainoid skeleton - Proline or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Aryl thioether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Thiophenol ether - Thia fatty acid - Halobenzene - Alkylarylthioether - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Pyrrolidine - Amino acid - Secondary amine - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-arylsulfanyl-substituted kainoids. These are kainoids carrying an aryl sulfanyl group at the 4-position of the pyrrolidine ring.
External Descriptors
Not available