Compound Identification
SMILES
CC(C)(C)OC(=O)C(CNC(=O)C1=CC(F)=C(C=C1)N1CCCC(C1)NC1=NC=CC=N1)NS(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=CDFIZTSDRXBDDO-UHFFFAOYSA-N
Formula
C29H35FN6O5S
Mass
598.69
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
Phenylpiperidines Benzenesulfonamides Aminobenzamides 3-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Aminopyrimidines and derivatives Fluorobenzenes Aminopiperidines Aryl fluorides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - Aminopyrimidine - 3-aminopiperidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organosulfonic acid amide - Piperidine - Pyrimidine - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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