Compound Identification
SMILES
COC1=NC=C(C=C1)[C@@H](CC(N)=O)NC1=NC=NC2=C1CN(CC2)C1=C(C=C(C)C=C1)C#N
InChIKey
InChIKey=CVUALUCLSVYHKA-HXUWFJFHSA-N
Formula
C24H25N7O2
Mass
443.511
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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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 Aminotoluenes Aniline and substituted anilines Benzonitriles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Pyridines and derivatives Imidolactams Fatty amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Pyridopyrimidine - Benzonitrile - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Toluene - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Tertiary amine - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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