Compound Identification
SMILES
O=C(CN1C=CC(=O)NC1=O)OCC1=CN=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=HTAKGKFOONNQLI-UHFFFAOYSA-N
Formula
C16H13N3O5
Mass
327.296
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Phenyl-1,3-oxazoles Pyrimidones 2,5-disubstituted oxazoles Benzene and substituted derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenyl-1,3-oxazole - 2,5-disubstituted 1,3-oxazole - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Oxazole - Urea - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available