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View Conjugates details

ConjuPepDB ID: cpd00544

Chemical structure


molecule
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cpd00544


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XSYAX triazole Betulonic acid derivative
Identification
ConjuPepDB ID

cpd00544

Smiles
Inchi Key

InChIKey=TZGCQMWJPPBRNF-YRPOQYAPSA-N

Molecular weight

1090.67

Molecular formula

C63H90N6O10

Chemical name
Peptide information
Sequence (one letter)

XSYAX

Length

5

Peptide name

tripeptide

External ID
CAS number

1471997-78-0

Other information
Application

Anti-inflammatoric therapy

Pharmacological class

anti-inflammatoric

Conjugate type

amide

Linker

N/A

Linker Type

triazole

Small molecule

Betulonic acid derivative

Small molecule CAS

1471997-71-3

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

CDCl3

Calculated properties
LogP

9.91573

Rotatable bonds

21

H bond donor

3

H bond acceptor

10

Polar surface area (PSA)

200.51000

Citations
ID Title Year Authors Journal DOI

Cpdart0086

Betulonic acid-peptide conjugates: synthesis and evaluation of anti-inflammatory activity

2013

Govdi, Anastasiya I.; Vasilevsky, Sergei F.; Sokolova, Nadezhda V.; Sorokina, Irina V.; Tolstikova, Tatyana G.; Nenajdenko, Valentine G.

Mendeleev Communications

..