Compound Identification
SMILES
CS(=O)(=O)NC1=C(O)C=CC(=C1)C(O)CNCC(C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=ZDCAQIGXDGJYKD-UHFFFAOYSA-N
Formula
C18H22N2O6S
Mass
394.44
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
Sulfanilides 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds 1,2-aminoalcohols Amino acids Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Sulfanilide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - Amine - Aromatic alcohol - 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