Compound Identification
SMILES
CNC1=C(C=C(CNC2(CC2)C(O)=O)C(OC)=C1)C(\N)=N\C1=C(F)C(Cl)=CC=C1
InChIKey
InChIKey=GOVXMDISERTNEQ-UHFFFAOYSA-N
Formula
C20H22ClFN4O3
Mass
420.87
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acids
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Level 6
Alpha amino acids and derivatives
-
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
Methoxyanilines Aminophenyl ethers Benzylamines Methoxybenzenes Anisoles Phenoxy compounds Phenylalkylamines Phenylmethylamines Chlorobenzenes Secondary alkylarylamines 1-aminocyclopropane-1-carboxylic acids and derivatives Alkyl aryl ethers Fluorobenzenes Cyclopropanecarboxylic acids Aryl fluorides Aryl chlorides Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carboxamidines Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid - Methoxyaniline - Aminophenyl ether - Anisole - Methoxybenzene - Phenylmethylamine - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - Phenol ether - Phenoxy compound - Alkyl aryl ether - 1-aminocyclopropane-1-carboxylic acid or derivatives - Halobenzene - Aralkylamine - Fluorobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Amino acid - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid amidine - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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