Compound Identification
SMILES
COC(=O)C1CCC(=O)N1S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=XFQDWAIQPTTZAF-UHFFFAOYSA-N
Formula
C13H15NO5S
Mass
297.33
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Proline and derivatives Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Sulfonyls Organosulfonic acids and derivatives Methyl esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Oxoproline - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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