Compound Identification
SMILES
CC(C)[C@H](NC(=O)[C@H](CC1=CC=CC2=CC=CC=C12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN1[C@H](C)CC[C@H]1C(F)(F)F
InChIKey
InChIKey=PKKCBGCVLAQVSO-NEFUTTRQSA-N
Formula
C39H52F3N3O5S
Mass
731.92
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Valine and derivatives Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Naphthalenes Aralkylamines N-acyl amines N-alkylpyrrolidines Sulfones 1,2-aminoalcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Naphthalene - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Sulfonyl - Sulfone - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available