Compound Identification
SMILES
CC(C)[C@H](CC(=O)N1C2=CC=CC=C2C2=CN=NC=C12)C(=O)NC(CC(O)=O)C(=O)CF
InChIKey
InChIKey=RXPBBDMDJGXMKM-LBAUFKAWSA-N
Formula
C22H23FN4O5
Mass
442.447
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Indoles Gamma-keto acids and derivatives Substituted pyrroles Pyridazines and derivatives Benzenoids N-acyl amines Alpha-haloketones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Indole or derivatives - Indole - Gamma-keto acid - N-acyl-amine - Fatty acyl - Benzenoid - Substituted pyrrole - Pyridazine - Keto acid - Fatty amide - Heteroaromatic compound - Alpha-haloketone - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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