Compound Identification
SMILES
COC1=CC=C(OCCCOC2=NC(NC(CC([O-])=O)C[N+](C)(C)C)=NC=C2)C=C1
InChIKey
InChIKey=GPOUMNZSRGUWDS-UHFFFAOYSA-N
Formula
C21H30N4O5
Mass
418.494
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic zwitterions Organic oxides Amines Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic 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