conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01409

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.

cpd01409


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

cpd01409

Smiles
Inchi Key

InChIKey=ZJPQNTWSRPGCAN-UHFFFAOYSA-N

Molecular weight

1037.51

Molecular formula

C55H71N7O13

Chemical name
Peptide information
Sequence (one letter)

GKL

Length

3

Peptide name

tripeptide

External ID
CAS number

656248-94-1

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

5.72887

Rotatable bonds

30

H bond donor

3

H bond acceptor

12

Polar surface area (PSA)

263.12000

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

..