Compound Identification
SMILES
CCOC(=O)C1CCC(NC(C(O)=O)C(C)(C)S)=N1
InChIKey
InChIKey=XYMKUTJACRZQTR-UHFFFAOYSA-N
Formula
C12H20N2O4S
Mass
288.36
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
Valine and derivatives Pyrroline carboxylic acids Thia fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives Imidolactams Carboxylic acid esters Alkylthiols Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Amines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Branched fatty acid - Heterocyclic fatty acid - Thia fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Imidolactam - Pyrroline - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidamide - Alkylthiol - Amidine - Carboxylic acid amidine - Carboxylic acid - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aliphatic 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