Compound Identification
SMILES
CC1=C(C)C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=PIUBJTMBAZTPIM-UHFFFAOYSA-N
Formula
C20H20N2O5S
Mass
400.45
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
Benzenesulfonamides Indoles Benzenesulfonyl compounds o-Xylenes Aryl alkyl ketones Alpha-acyloxy ketones Substituted pyrroles Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Indole - Indole or derivatives - O-xylene - Xylene - Aryl alkyl ketone - Aryl ketone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Substituted pyrrole - Organosulfonic acid amide - Benzenoid - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Pyrrole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organosulfur 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