Compound Identification
SMILES
CN(CC(O)=O)C1CCC(CC1)NC1=NC=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=N1
InChIKey
InChIKey=WAVZJXCIKWHOHZ-UHFFFAOYSA-N
Formula
C21H23ClFN7O2
Mass
459.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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 Alpha amino acids
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Cyclohexylamines Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Cyclohexylamine - Chlorobenzene - Aryl chloride - Aryl fluoride - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid - Tertiary amine - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available