Compound Identification
SMILES
C[N+](C)(C)CC(CC(O)=O)NC1=NC(OCCCC2=CC=CC3=C2C=CC3)=CC(Cl)=N1
InChIKey
InChIKey=MPWFFGVNCKOPSE-UHFFFAOYSA-O
Formula
C23H30ClN4O3
Mass
445.97
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
Indenes and isoindenes Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Indene - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Aryl chloride - Pyrimidine - Aryl halide - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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