Compound Identification
SMILES
CCOC(=O)C(NC(=O)NC1=CC=C(Cl)C=C1)(OCC(F)(F)F)C(F)(F)F
InChIKey
InChIKey=PXTYFFAYMQVWHG-UHFFFAOYSA-N
Formula
C14H13ClF6N2O4
Mass
422.71
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 - N-carbamoyl-alpha amino acids and derivatives
Direct Parent
N-carbamoyl-alpha amino acids
Alternative Parents
N-phenylureas Chlorobenzenes Aryl chlorides Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-carbamoyl-alpha-amino acid - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Urea - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available