Compound Identification
SMILES
CC(C)(C)OC(=O)C(CNC(=O)C1=CC(=CC(=C1)N1CCC(CC1)NC1=NC=CC=N1)C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=LBYBDQDSZMBJON-UHFFFAOYSA-N
Formula
C30H35F3N6O5S
Mass
648.7
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
Phenylpiperidines Trifluoromethylbenzenes Aminobenzamides Benzenesulfonamides Benzamides Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylpiperidine - Aminobenzamide - Trifluoromethylbenzene - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Benzoyl - Aminopyrimidine - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Piperidine - Pyrimidine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxygen 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