Compound Identification
SMILES
C[C@H](NC1=NC(=CC(NC2=NC=CN=C2)=N1)N1CCC[C@H]1C(N)=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=NZJCPQZFYBUJBZ-BBRMVZONSA-N
Formula
C21H23FN8O
Mass
422.468
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 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 Pyrrolidinecarboxamides Dialkylarylamines Secondary alkylarylamines Aminopyrazines Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Dialkylarylamine - Aminopyrazine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Pyrazine - Aryl fluoride - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Azacycle - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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