Compound Identification
SMILES
OC(=O)CCNS(=O)(=O)C1=C(Cl)C=CC(NC(=O)NC2=CC=CC=C2Cl)=C1O
InChIKey
InChIKey=CBUGELSTNJIUBC-UHFFFAOYSA-N
Formula
C16H15Cl2N3O6S
Mass
448.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 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
N-phenylureas Benzenesulfonamides Benzenesulfonyl compounds M-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Ureas Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylurea - Benzenesulfonamide - Benzenesulfonyl group - 3-chlorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Organosulfonic acid amide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Urea - Monocarboxylic acid or derivatives - Carboxylic acid - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - 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