Compound Identification
SMILES
COC(=O)[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ACTILGDQKADSRK-DYVFJYSZSA-N
Formula
C18H20N2O6S
Mass
392.43
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
P-toluenesulfonamides Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Fatty acid esters Organosulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Nitrobenzene - Benzenesulfonyl group - Phenylpropane - Nitroaromatic compound - Fatty acid ester - Toluene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - 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