Compound Identification
SMILES
C[C@H](COC1=CN2N=CN=C(OC3=C(F)C4=C(NC(C)=C4)C=C3)C2=C1C)OC(=O)CN
InChIKey
InChIKey=SJDOZKJTMVUAKV-GFCCVEGCSA-N
Formula
C21H22FN5O4
Mass
427.436
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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 acid esters
Alternative Parents
Diarylethers Pyrrolo[2,1-f][1,2,4]triazines Indoles Phenol ethers Alkyl aryl ethers Substituted pyrroles 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Diaryl ether - Pyrrolo[2,1-f][1,2,4]triazine - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Aryl fluoride - Aryl halide - 1,2,4-triazine - Benzenoid - Triazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organooxygen compound - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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