conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00930

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.

cpd00930


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XII porphine derivative
Identification
ConjuPepDB ID

cpd00930

Smiles
Inchi Key

InChIKey=JUDUSOPBXJXVIU-OJGHWNKDSA-N

Molecular weight

2019.01

Molecular formula

C108H130N24O16

Chemical name
Peptide information
Sequence (one letter)

XII

Length

3

Peptide name

dipeptide

External ID
CAS number

1252800-23-9

Other information
Application

Synthesis

Additional function

Preparation of artificial heme protein models

Conjugate type

triazole

Linker

no

Small molecule

porphine derivative

Small molecule CAS

1283646-58-1

Small molecule structure

Structure method

1H NMR

NMR solvent

CDCl3

Calculated properties
LogP

17.16242

Rotatable bonds

48

H bond donor

10

H bond acceptor

22

Polar surface area (PSA)

518.20000

Citations
ID Title Year Authors Journal DOI

Cpdart0134

Facile synthesis of peptide-porphyrin conjugates: Towards artificial catalase

2010

Umezawa, Naoki; Matsumoto, Nobuyoshi; Iwama, Shinsuke; Kato, Nobuki; Higuchi, Tsunehiko

Bioorganic & Medicinal Chemistry

..