Compound Identification
SMILES
OC(=O)C(F)(F)F.NCCCCC(NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1)C(O)=O
InChIKey
InChIKey=HHFHNNWZKXTJTG-UHFFFAOYSA-N
Formula
C18H19ClF3N3O6
Mass
465.81
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
Isoquinolines and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Medium-chain fatty acids 2-halopyridines Amino fatty acids Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Hydroxypyridines Aryl chlorides Benzenoids Heteroaromatic compounds Vinylogous acids Alpha-halocarboxylic acids Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Alkyl fluorides Monoalkylamines
Molecular Framework
Not available
Substituents
N-acyl-alpha-amino acid - Isoquinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Medium-chain fatty acid - 2-halopyridine - Amino fatty acid - Hydroxy fatty acid - Hydroxypyridine - Heterocyclic fatty acid - Halogenated fatty acid - Aryl chloride - Aryl halide - Pyridine - Fatty acyl - Benzenoid - Fatty acid - Alpha-halocarboxylic acid - Heteroaromatic compound - Vinylogous acid - Alpha-halocarboxylic acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Amine - Primary aliphatic amine - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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