conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01083

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd01083


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
AKPGKKKPGK N-[(1,1-Dimethylethoxy)carbonyl]-3-[(3-nitro-2-pyridinyl)dithio]-L-alanine
Identification
ConjuPepDB ID

cpd01083

Smiles
Molecular weight

1948.94

Molecular formula

C84H136N22O27S2

Chemical name
Peptide information
Sequence (one letter)

AKPGKKKPGK

Length

10

Peptide name

N/A

External ID
CAS number

1008512-43-3

Other information
Application

Synthesis

Additional function

possible applications in tumor imaging and therapy, synthetic vaccines, beta-sheet structures

Pharmacological class

anticancer

Conjugate type

disulfide

Linker

no

Small molecule

N-[(1,1-Dimethylethoxy)carbonyl]-3-[(3-nitro-2-pyridinyl)dithio]-L-alanine

Small molecule CAS

76880-29-0

Structure method

1H and 13C NMR, RP-HPLC

Calculated properties
LogP

-3.54978

Rotatable bonds

54

H bond donor

14

H bond acceptor

31

Polar surface area (PSA)

636.56000

Citations
ID Title Year Authors Journal DOI

cpdart0165

1-Ethoxyethylidene, a New Group for the Stepwise SPPS of Aminooxyacetic Acid Containing Peptides

2008

Foillard, Stephanie; Ohsten Rasmussen, Martin; Razkin, Jesus; Boturyn, Didier; Dumy, Pascal

Journal of Organic Chemistry

..