conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01414

Chemical structure


molecule
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cpd01414


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XKKKL 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid
Identification
ConjuPepDB ID

cpd01414

Smiles
Inchi Key

InChIKey=AZWQLRYWPKQVNO-UHFFFAOYSA-N

Molecular weight

1847.97

Molecular formula

C102H133N11O21

Chemical name
Peptide information
Sequence (one letter)

XKKKL

Length

5

Peptide name

N/A

External ID
CAS number

656248-87-2

Other information
Application

Synthesis

Additional function

Selfassembly

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid

Small molecule CAS

656248-75-8

Structure method

1H NMR, HPLC

NMR solvent

DMSO-d6

Calculated properties
LogP

12.98839

Rotatable bonds

63

H bond donor

7

H bond acceptor

20

Polar surface area (PSA)

416.44000

Citations
ID Title Year Authors Journal DOI

cpdart0217

Zipper-Featured δ-Peptide Foldamers Driven by Donor-Acceptor Interaction. Design, Synthesis, and Characterization

2004

Zhao, Xin; Jia, Mu-Xin; Jiang, Xi-Kui; Wu, Li-Zhu; Li, Zhan-Ting; Chen, Guang-Ju

Journal of Organic Chemistry

..