Compound Identification
SMILES
COC(=O)[C@@H]1CS[C@@H](N1C(=O)C1=NC=CN=C1N)C1=CC=CC=C1
InChIKey
InChIKey=WCOLPQOHWMWOMZ-XHDPSFHLSA-N
Formula
C16H16N4O3S
Mass
344.39
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
Pyrazinecarboxamides 2-heteroaryl carboxamides Aminopyrazines Imidolactams Benzene and substituted derivatives Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Aminopyrazine - Monocyclic benzene moiety - Pyrazine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Dialkylthioether - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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