Compound Identification
SMILES
CCOC(=O)[C@@H]1CCCN1C(=O)C1=C(ON=C1C1=CC=C(Cl)C=C1)C(F)(F)Cl
InChIKey
InChIKey=AYAYHWCNKLFMQJ-LBPRGKRZSA-N
Formula
C18H16Cl2F2N2O4
Mass
433.23
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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Proline and derivatives Alpha amino acid esters Pyrrolidine carboxylic acids N-acylpyrrolidines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha-amino acid - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Isoxazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Alkyl chloride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available