Compound Identification
SMILES
CCCC1=CC2=C(N=C(N=C2S1)N1CCCC1C(=O)OCOC(=O)C(C)(C)C)N1CCN2C(C1)=NN=C2C(F)(F)F
InChIKey
InChIKey=CYTZLLNMSKHZGV-UHFFFAOYSA-N
Formula
C26H32F3N7O4S
Mass
595.64
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
Proline and derivatives Triazolopyrazines Thienopyrimidines Pyrrolidine carboxylic acids 2,3,5-trisubstituted thiophenes Dialkylarylamines Acylals Aminopyrimidines and derivatives Pyrazines Imidolactams Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Acetals Azacyclic compounds Organopnictogen compounds Organic oxides Alkyl fluorides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Thienopyrimidine - Triazolopyrazine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - Acylal - Dicarboxylic acid or derivatives - Pyrazine - Pyrimidine - Imidolactam - 1,2,4-triazole - Triazole - Thiophene - Pyrrolidine - Heteroaromatic compound - Azole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Acetal - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen 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