Compound Identification
SMILES
COC(=O)CN1N=NN=C1C(NCCCN1C=CN=C1)C1=CC(C#N)=C(F)C=C1
InChIKey
InChIKey=ZMTHADHRYZAXDS-UHFFFAOYSA-N
Formula
C18H19FN8O2
Mass
398.402
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 acid esters
-
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 acid esters
Alternative Parents
Imidazolyl carboxylic acids and derivatives Benzonitriles Aralkylamines Fluorobenzenes Aryl fluorides N-substituted imidazoles Tetrazoles Methyl esters Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Imidazolyl carboxylic acid derivative - Benzonitrile - Halobenzene - Fluorobenzene - Aralkylamine - N-substituted imidazole - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tetrazole - Methyl ester - Imidazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Cyanide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available