conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01369

Chemical structure


molecule
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cpd01369


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
VKW (3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol
Identification
ConjuPepDB ID

cpd01369

Smiles
Inchi Key

InChIKey=CUVHPZCAUYKPAQ-UHFFFAOYSA-N

Molecular weight

1631.08

Molecular formula

C90H138N18O10

Chemical name
Peptide information
Sequence (one letter)

VKW

Length

3

Peptide name

tripeptide

External ID
CAS number

786709-43-1

Other information
Application

Antibiotic, antibacterial

Pharmacological class

antimicrobial, antibacterial

Conjugate type

amide

Linker

no

Small molecule

(3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol

Small molecule CAS

222165-77-7

Structure method

1H- and 13C NMR

Calculated properties
LogP

4.74879

Rotatable bonds

43

H bond donor

19

H bond acceptor

16

Polar surface area (PSA)

485.62000

Citations
ID Title Year Authors Journal DOI

cpdart0209

Synthesis and Characterization of Peptide-Cationic Steroid Antibiotic Conjugates

2004

Ding, Bangwei; Taotofa, Uale; Orsak, Thomas; Chadwell, Matthew; Savage, Paul B.

Organic Letters

..