Compound Identification
SMILES
OC[C@H](CC(O)=O)NC(=O)C1=CC2=C(CN(CCC3CCNCC3)C2=O)C=C1
InChIKey
InChIKey=WHQCRUOBSQLFAS-INIZCTEOSA-N
Formula
C20H27N3O5
Mass
389.452
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
Isoindolones Isoindoles Benzenoids Piperidines Tertiary carboxylic acid amides Lactams Tertiary amines Amino acids Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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