Compound Identification
SMILES
COC(=O)[C@@H]1[C@H](N1S(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DDMMOIGLWDGNCE-LNKXUWQBSA-N
Formula
C17H16N2O6S
Mass
376.38
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 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
N,N-disubstituted p-toluenesulfonamides Benzenesulfonamides Phenylaziridines Benzenesulfonyl compounds Nitrobenzenes Indoles Nitroaromatic compounds Organosulfonamides Aziridinecarboxylic acids Sulfonyls Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Indole - Nitrobenzene - Phenylaziridine - Nitroaromatic compound - Toluene - Aziridinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Sulfonyl - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Aziridine - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available