Compound Identification
SMILES
COC(=O)[C@H](NS(=O)(=O)C1=CC=C(S1)C1=CC=CC=N1)C(C)(C)SCCCO
InChIKey
InChIKey=WJUVMAFBQAGLQQ-INIZCTEOSA-N
Formula
C18H24N2O5S3
Mass
444.58
Taxonomic Classification
Taxonomy Tree
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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
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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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Valine and derivatives 2,5-disubstituted thiophenes Fatty acid esters Pyridines and derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Azacyclic compounds Sulfenyl compounds Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Fatty acid ester - 2,5-disubstituted thiophene - Pyridine - Fatty acyl - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Aminosulfonyl compound - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen 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