Compound Identification
SMILES
COC(=O)CN(C(=O)C(CSC(C)=O)CC1=CC=C(O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=KMVKQRITQOTLOG-UHFFFAOYSA-N
Formula
C21H23NO5S
Mass
401.48
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
-
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
Anilides 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Methyl esters Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Anilide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic 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