Compound Identification
SMILES
CC(=O)NC1=NC2=C(N=C(Cl)C=C2)C(=N1)N1CC[C@H]([C@@H]1N)C(=O)OC(C)(C)C
InChIKey
InChIKey=XBLXOKYCYKKDFC-QMTHXVAHSA-N
Formula
C18H23ClN6O3
Mass
406.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyridopyrimidines N-acetylarylamines Pyrrolidine carboxylic acids Dialkylarylamines 2-halopyridines Pyrimidines and pyrimidine derivatives Imidolactams Aryl chlorides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Pyridopyrimidine - N-acetylarylamine - Pyrrolidine carboxylic acid - Dialkylarylamine - Pyrrolidine carboxylic acid or derivatives - N-arylamide - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Acetamide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available