Compound Identification
SMILES
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=FEXHDNZWDOUBMP-GFCCVEGCSA-N
Formula
C13H16ClFN2O4S
Mass
350.79
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
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Anilides N-arylamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Fatty amides Sulfones Acetamides Secondary carboxylic acid amides Organofluorides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Fatty acyl - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Fatty amide - Aryl halide - Acetamide - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available