Compound Identification
SMILES
CN1C=NC2=C(CCCOC3=CC(Cl)=NC(NC4(CC(O)=O)CC[N+](C)(C)CC4)=N3)C=CC=C12
InChIKey
InChIKey=XDMKUUSWUVTYAN-UHFFFAOYSA-O
Formula
C24H32ClN6O3
Mass
488.01
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 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
Benzimidazoles Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Piperidines Aryl chlorides Benzenoids N-substituted imidazoles Heteroaromatic compounds Tetraalkylammonium salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzimidazole - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Azole - Tetraalkylammonium salt - Imidazole - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organohalogen compound - Organic cation - 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