Compound Identification
SMILES
COC(=O)CN(C1=NC(C)=C(Br)C(OC)=N1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=IKGXIBFZRDVKPX-UHFFFAOYSA-N
Formula
C16H18BrN3O5S
Mass
444.3
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
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Subclass
Amino acids, peptides, and analogues
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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
N,N-disubstituted p-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers Halopyrimidines Organosulfonamides Aryl bromides Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Alkyl aryl ether - Halopyrimidine - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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