Compound Identification
SMILES
COC(=O)C(CC1(C=NN=N1)C1CCOC2=C1C=CC(CN1CCC(F)CC1)=C2)NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=PCXQUOUJUUELDW-UHFFFAOYSA-N
Formula
C28H34FN5O5S
Mass
571.67
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
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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
P-toluenesulfonamides 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers Aralkylamines Fatty acid esters Piperidines Organosulfonamides Aminosulfonyl compounds Methyl esters Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - P-toluenesulfonamide - Tosyl compound - 1-benzopyran - Benzopyran - Chromane - Benzenesulfonamide - Benzenesulfonyl group - Toluene - Aralkylamine - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Piperidine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl halide - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - 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