Compound Identification
SMILES
FC1=NC=C(NC(=O)C2CCCN2C2=NN3C=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1
InChIKey
InChIKey=KXJSNGUMWGPTMJ-UHFFFAOYSA-N
Formula
C22H22FN9O
Mass
447.478
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Proline and derivatives
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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
Proline and derivatives
Alternative Parents
Alpha amino acid amides Pyrrolo[2,1-f][1,2,4]triazines Pyrrolidinecarboxamides N-arylamides Dialkylarylamines Aminotriazines 2-halopyridines Imidolactams Aryl fluorides 1,2,4-triazines Pyrroles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Pyrrolo[2,1-f][1,2,4]triazine - Dialkylarylamine - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - 2-halopyridine - Aminotriazine - 1,2,4-triazine - Imidolactam - Triazine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrolidine - Pyrrole - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available