conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01367

Chemical structure


molecule
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cpd01367


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

cpd01367

Smiles
Inchi Key

InChIKey=QDSZPUHVBVZLGP-UHFFFAOYSA-N

Molecular weight

1561.88

Molecular formula

C72H135N15O10S6

Chemical name
Peptide information
Sequence (one letter)

MMK

Length

3

Peptide name

tripeptide

External ID
CAS number

786709-45-3

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

0.72961

Rotatable bonds

52

H bond donor

16

H bond acceptor

16

Polar surface area (PSA)

438.25000

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

..