Compound Identification
SMILES
CCOC(=O)C(CNCN1C=NC2=CC=CC=C2C1=O)C(C)=O
InChIKey
InChIKey=QJVCWYPJQGAMHM-UHFFFAOYSA-N
Formula
C16H19N3O4
Mass
317.345
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
Quinazolines Pyrimidones Fatty acid esters Beta-keto acids and derivatives Benzenoids 1,3-dicarbonyl compounds Heteroaromatic compounds Lactams Ketones Carboxylic acid esters Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinazoline - Beta-keto acid - Fatty acid ester - Pyrimidone - Keto acid - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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