Compound Identification
SMILES
COC(=O)C(N1C(=O)C2=CC=CC=C2C1=O)C(C)(C)SCC1=CC=CC=C1
InChIKey
InChIKey=SCLUMALRWZNGRU-UHFFFAOYSA-N
Formula
C21H21NO4S
Mass
383.46
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 Phthalimides Isoindoles Fatty acid esters N-substituted carboxylic acid imides Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid ester - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Fatty acid ester - Fatty acyl - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Methyl ester - Carboxylic acid imide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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