Compound Identification
SMILES
COC(=O)C(NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)(NC1=CC=C(F)C=C1)C(F)(F)F
InChIKey
InChIKey=DNBIKAZKBFVDMP-UHFFFAOYSA-N
Formula
C18H14F7N3O4
Mass
469.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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 Phenylalkylamines Phenoxy compounds Phenol ethers Secondary alkylarylamines Fluorobenzenes Aryl fluorides Methyl esters Ureas Trihalomethanes Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-carbamoyl-alpha-amino acid - N-phenylurea - Phenoxy compound - Phenylalkylamine - Phenol ether - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Trihalomethane - Carbonic acid derivative - Urea - Secondary amine - Monocarboxylic acid or derivatives - Organofluoride - Amine - Hydrocarbon derivative - Halomethane - Organohalogen compound - Alkyl halide - Organic oxide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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