Compound Identification
SMILES
CCOC(=O)[C@H](NS(C)(=O)=O)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=FASRUFVROBYRCC-GHMZBOCLSA-N
Formula
C12H16N2O7S
Mass
332.33
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
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters Nitrobenzenes Nitroaromatic compounds Beta hydroxy acids and derivatives Fatty acid esters Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Nitrobenzene - Nitroaromatic compound - Beta-hydroxy acid - Fatty acid ester - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary alcohol - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic salt - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available