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View Conjugates details

ConjuPepDB ID: cpd00078

Chemical structure


molecule
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cpd00078


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
[WXTFPF] Methyl acrylate
Identification
ConjuPepDB ID

cpd00078

Smiles
Inchi Key

InChIKey=GUDJFZOIQJVXNX-UYKGIBSOSA-N

Molecular weight

877.437

Molecular formula

C48H59N7O9

Chemical name
Peptide information
Sequence (one letter)

[WXTFPF]

Length

8

Peptide name

hexapeptide, cyclic

External ID
CAS number

2230864-85-2

Other information
Application

Synthesis, tryptophan chemoselective beta?position conjugation

Additional function

Possible appications as protein labeling and various bioconjugations

Pharmacological class

other

Conjugate type

C-C

Linker

no

Small molecule

Methyl acrylate

Small molecule CAS

96-33-3

Small molecule structure

Structure method

NMR

Calculated properties
LogP

2.98238

Rotatable bonds

14

H bond donor

7

H bond acceptor

8

Polar surface area (PSA)

228.13000

Citations
ID Title Year Authors Journal DOI

Cpdart0031

Chemoselective Peptide Modification via Photocatalytic Tryptophan β-Position Conjugation

2018

Yu, Younong; Zhang, Li-Kang; Buevich, Alexei V.; Li, Guoqing; Tang, Haiqun; Vachal, Petr; Colletti, Steven L.; Shi, Zhi-Cai

Journal of the American Chemical Society

..