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ConjuPepDB ID: cpd00342

Chemical structure


molecule
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cpd00342


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
NVXKXD triazole 1H-Thieno[3,4-d]imidazole-4-hexanamide, N-[2-[2-(azidomethoxy)ethoxy]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
Identification
ConjuPepDB ID

cpd00342

Smiles
Inchi Key

InChIKey=HEDYJRGIKFCBBE-KHHSWXNQSA-N

Molecular weight

1120.57

Molecular formula

C49H80N14O14S

Chemical name
Peptide information
Sequence (one letter)

NVXKXD

Length

6

Peptide name

hexapeptide

External ID
CAS number

1809332-30-6

Other information
Application

Synthesis, Y1-receptor binding

Additional function

Preparation of biotin and fluorophore-labelled peptides

Pharmacological class

other

Conjugate type

ether

Linker

N/A

Linker Type

triazole

Small molecule

1H-Thieno[3,4-d]imidazole-4-hexanamide, N-[2-[2-(azidomethoxy)ethoxy]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-

Small molecule CAS

1809332-37-3

Small molecule structure

Calculated properties
LogP

-5.75928

Rotatable bonds

29

H bond donor

11

H bond acceptor

17

Polar surface area (PSA)

400.85000

Citations
ID Title Year Authors Journal DOI

Cpdart0066

Propargyloxyproline regio- and stereoisomers for Click-conjugation of peptides: Synthesis and application in linear and cyclic peptides

2015

Northfield, Susan E.; Mountford, Simon J.; Wielens, Jerome; Liu, Mengjie; Zhang, Lei; Herzog, Herbert; Holliday, Nicholas D.; Scanlon, Martin J.; Parker, Michael W.; Chalmers, David K.; Thompson, Philip E.

Australian Journal of Chemistry

..