Compound Identification
SMILES
OC(=O)CC(NC(=O)C(CC1=CN=CN1)OC(=O)NC1=CC=CC=C1)C(=O)CF
InChIKey
InChIKey=ZCHZTEQYOGTLFV-UHFFFAOYSA-N
Formula
C18H19FN4O6
Mass
406.37
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 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenylcarbamic acid esters Imidazolyl carboxylic acids and derivatives Gamma-keto acids and derivatives Fatty amides Alpha-haloketones Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylcarbamic acid ester - Beta amino acid or derivatives - Imidazolyl carboxylic acid derivative - Gamma-keto acid - Keto acid - Benzenoid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Azole - Carbamic acid ester - Alpha-haloketone - Imidazole - Heteroaromatic compound - Ketone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available