Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1F)C1=CC(F)=C(CNC(=O)C2(CC2)NC(=O)C(F)Cl)C=C1
InChIKey
InChIKey=LDTYTPPYJNRGKI-UHFFFAOYSA-N
Formula
C21H18ClF3N2O4
Mass
454.83
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
Biphenyls and derivatives 2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Fluorobenzenes Cyclopropanecarboxylic acids and derivatives Aryl fluorides Methyl esters Vinylogous halides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Biphenyl - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Vinylogous halide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alkyl chloride - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organic oxide - Alkyl halide - Alkyl fluoride - 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