Compound Identification
SMILES
COC(=O)C1(CO)C2CC(NCC2=CC)C23NC4=CCCC=C4C12CCO3
InChIKey
InChIKey=RLMHVVRLSGKATM-UHFFFAOYSA-N
Formula
C21H28N2O4
Mass
372.465
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
-
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
Delta amino acids and derivatives
Alternative Parents
Indolines Beta hydroxy acids and derivatives Piperidines Tetrahydrofurans Pyrrolidines Methyl esters Azacyclic compounds Dialkylamines Enamines Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Delta amino acid or derivatives - Indole or derivatives - Dihydroindole - Beta-hydroxy acid - Hydroxy acid - Piperidine - Pyrrolidine - Methyl ester - Tetrahydrofuran - Carboxylic acid ester - Secondary aliphatic amine - Enamine - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors
Not available