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View Conjugates details

ConjuPepDB ID: cpd00079

Chemical structure


molecule
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cpd00079


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

cpd00079

Smiles
Inchi Key

InChIKey=IMCLQZFFWMGTSU-BLUWYOODSA-N

Molecular weight

853.314

Molecular formula

C40H51N7O10S2

Chemical name
Peptide information
Sequence (one letter)

[WGMFDM]

Length

8

Peptide name

hexapeptide, cyclic

External ID
CAS number

2230864-83-0

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

0.36434

Rotatable bonds

16

H bond donor

8

H bond acceptor

9

Polar surface area (PSA)

253.99000

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

..