Compound Identification
SMILES
C[C@@H](O)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)OCC(=O)[C@@H](C#N)C(C)=N
InChIKey
InChIKey=CUVUVLKLCGUDQY-DGFSRKRXSA-N
Formula
C16H18ClN3O6S
Mass
415.85
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
-
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
Benzenesulfonamides Benzenesulfonyl compounds Alpha-acyloxy ketones Fatty acid esters Chlorobenzenes Beta hydroxy acids and derivatives Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary alcohols Ketones Ketimines Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Alpha-acyloxy ketone - Beta-hydroxy acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Hydroxy acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Ketimine - Secondary alcohol - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organosulfur compound - Imine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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