conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00679

Chemical structure


molecule
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cpd00679


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XVYAX triazole Mestranol
Identification
ConjuPepDB ID

cpd00679

Smiles
Inchi Key

InChIKey=CWMIGCRZDSMDON-LKSIZNKGSA-N

Molecular weight

856.546

Molecular formula

C49H72N6O7

Chemical name
Peptide information
Sequence (one letter)

XVYAX

Length

5

Peptide name

oligopeptide

External ID
CAS number

1412911-24-0

Other information
Application

Synthesis

Additional function

Convenient method for decoration of biologically active molecules with peptide residues

Conjugate type

amide

Linker

N/A

Linker Type

triazole

Small molecule

Mestranol

Small molecule CAS

72-33-3

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

CDCl3

Calculated properties
LogP

8.45393

Rotatable bonds

17

H bond donor

3

H bond acceptor

8

Polar surface area (PSA)

157.14000

Citations
ID Title Year Authors Journal DOI

Cpdart0107

Synthesis of peptide conjugates of mestranol by a 1,3-dipolar cycloaddition click reaction

2012

Sokolova, N. V.; Nenajdenko, V. G.

Chemistry of Heterocyclic Compounds

..