Compound Identification
SMILES
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(N)C=C1
InChIKey
InChIKey=XFQUDVCDIMAEDE-QGZVFWFLSA-N
Formula
C18H19N3O4S
Mass
373.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
Indolyl carboxylic acids and derivatives Aminobenzenesulfonamides 3-alkylindoles Benzenesulfonyl compounds Aniline and substituted anilines Fatty acid esters Substituted pyrroles Organosulfonamides Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Aminobenzenesulfonamide - Benzenesulfonamide - 3-alkylindole - Benzenesulfonyl group - Indole - Indole or derivatives - Aniline or substituted anilines - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Substituted pyrrole - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Pyrrole - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Primary 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