conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00682

Chemical structure


molecule
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cpd00682


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XGYX alpha-trifluoromethyl-alpha-hydroxy acid
Identification
ConjuPepDB ID

cpd00682

Smiles
Inchi Key

InChIKey=XQYGCKWZWVRXJI-OIGLVOGNSA-N

Molecular weight

660.273

Molecular formula

C28H39F3N6O9

Chemical name
Peptide information
Sequence (one letter)

XGYX

Length

4

Peptide name

oligopeptide

External ID
CAS number

1360464-80-7

Other information
Application

Synthesis

Additional function

Potential applications in biochemistry and medicinal chemistry

Conjugate type

amide

Linker

no

Small molecule

alpha-trifluoromethyl-alpha-hydroxy acid

Small molecule CAS

537034-30-3

Small molecule structure

Structure method

1H-, 13C- and 19F-NMR

NMR solvent

DMSO-d6 or CDCl3

Calculated properties
LogP

0.97218

Rotatable bonds

18

H bond donor

3

H bond acceptor

9

Polar surface area (PSA)

183.44000

Citations
ID Title Year Authors Journal DOI

Cpdart0108

Synthesis of α-Trifluoromethyl-α-hydroxy Acid-Peptide Conjugates via Click Chemistry

2012

Sokolova, Nadezhda V.; Vorobyeva, Daria V.; Osipov, Sergey N.; Vasilyeva, Tamara P.; Nenajdenko, Valentine G.

Synthesis

..