Compound Identification
SMILES
CC1=CC(NC(=O)CC(NCC2=CN=CC=C2)C(O)=O)=C(C)C=C1
InChIKey
InChIKey=MRGLKWYMYQFKCE-UHFFFAOYSA-N
Formula
C18H21N3O3
Mass
327.384
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
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
-
Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Asparagine and derivatives
Alternative Parents
Alpha amino acids Anilides p-Xylenes N-arylamides Aralkylamines Pyridines and derivatives Fatty amides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid - Anilide - P-xylene - Xylene - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available