Compound Identification
SMILES
COC(=O)C1C(N)N(C2=CN=CC=C2)C2=C(C1C1=C(Cl)N=C3C=CC(C)=CC3=C1)C(=O)CCC2
InChIKey
InChIKey=LXUONTSWVKJEML-UHFFFAOYSA-N
Formula
C26H25ClN4O3
Mass
476.96
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
-
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
Chloroquinolines Tetrahydropyridines Cyclohexenones 2-halopyridines Benzenoids Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Beta amino acid or derivatives - Chloroquinoline - Quinoline - 2-halopyridine - Cyclohexenone - Tetrahydropyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Vinylogous amide - Ketone - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen 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