conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01408

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.

cpd01408


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
GLKKG 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

cpd01408

Smiles
Inchi Key

InChIKey=MONRSFLNYZMELN-UHFFFAOYSA-N

Molecular weight

1519.73

Molecular formula

C80H101N11O19

Chemical name
Peptide information
Sequence (one letter)

GLKKG

Length

5

Peptide name

N/A

External ID
CAS number

656248-95-2

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

7.09918

Rotatable bonds

45

H bond donor

5

H bond acceptor

18

Polar surface area (PSA)

396.08000

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

..