Compound Identification
SMILES
CC(C)(C)OC(=O)C1CCN(C(C(O)=O)C2=CC3=CC=CC=C3C=C2)C1N
InChIKey
InChIKey=PQIPMLIIRDECGR-UHFFFAOYSA-N
Formula
C21H26N2O4
Mass
370.449
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
Naphthalenes Alpha amino acids and derivatives Pyrrolidine carboxylic acids N-alkylpyrrolidines Dicarboxylic acids and derivatives Tertiary amines Carboxylic acid esters Amino acids Carboxylic acids Azacyclic compounds Aminals Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Carboxylic acid ester - Amino acid - Tertiary amine - Aminal - Carboxylic acid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - 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