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View Conjugates details

ConjuPepDB ID: cpd00665

Chemical structure


molecule
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cpd00665


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XAFX Vitamin D3 (calcitriol)
Identification
ConjuPepDB ID

cpd00665

Smiles
Inchi Key

InChIKey=QHKBPTFKQVDXRB-FVLQMJMHSA-N

Molecular weight

736.482

Molecular formula

C47H64N2O5

Chemical name
Peptide information
Sequence (one letter)

XAFX

Length

4

Peptide name

dipeptide

External ID
CAS number

1403487-71-7

Other information
Application

Synthesis

Additional function

Microwave-assister formation of peptide–vitamin conjugates

Conjugate type

ester

Linker

no

Small molecule

Vitamin D3 (calcitriol)

Small molecule CAS

67-97-0

Small molecule structure

Structure method

1H-NMR

NMR solvent

CDCl3, (CD3)CO or DMSO-d6

Calculated properties
LogP

10.49364

Rotatable bonds

17

H bond donor

2

H bond acceptor

3

Polar surface area (PSA)

93.73000

Citations
ID Title Year Authors Journal DOI

Cpdart0106

Microwave-assisted formation of peptide-vitamin conjugates

2012

El-Nachef, Claudia; Bajaj, Kiran; Koblick, Jacqueline; Katritzky, Alan R.

European Journal of Organic Chemistry

..