Compound Identification
SMILES
NC(C1NC(C(=O)OCC2=CC=CC=C2)C2(CCC2)S1)C(O)=O
InChIKey
InChIKey=BLODKQWSGCPNKK-UHFFFAOYSA-N
Formula
C16H20N2O4S
Mass
336.41
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
Benzyloxycarbonyls Alpha amino acids Dicarboxylic acids and derivatives Thiazolidines Carboxylic acid esters Amino acids Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alpha-amino acid - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Thiazolidine - Amino acid - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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