Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(NC(O)CC(O)=O)C=C2)=NO1
InChIKey
InChIKey=BOXLQDPKUUKRKL-UHFFFAOYSA-N
Formula
C13H15N3O6S
Mass
341.34
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
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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
Benzenesulfonamides Benzenesulfonyl compounds Phenylalkylamines Secondary alkylarylamines Beta hydroxy acids and derivatives Organosulfonamides Imidolactams Isoxazoles Aminosulfonyl compounds Heteroaromatic compounds Amino acids Oxacyclic compounds Alkanolamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylalkylamine - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Hydroxy acid - Organic sulfonic acid or derivatives - Isoxazole - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Amino acid - Alkanolamine - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - 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