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ConjuPepDB ID: cpd01486

Chemical structure


molecule
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cpd01486


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
LL 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid
Identification
ConjuPepDB ID

cpd01486

Smiles
Inchi Key

InChIKey=PYZIWNMPIKKLLO-PGMHBOJBSA-N

Molecular weight

497.289

Molecular formula

C28H39N3O5

Chemical name
Peptide information
Sequence (one letter)

LL

Length

2

Peptide name

dipeptide

External ID
CAS number

496803-19-1

Other information
Application

Synthesis

Additional function

Possible applications in brain ischemia, multiple sclerosis, Alzheimer×s disease, muscular dystrophy and other degenerative diseases

Pharmacological class

neurological

Conjugate type

amide

Linker

no

Small molecule

2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid

Small molecule CAS

496802-83-6

Structure method

1H- and 13C NMR, MS

NMR solvent

DMSO-d6

Calculated properties
LogP

3.46249

Rotatable bonds

10

H bond donor

2

H bond acceptor

4

Polar surface area (PSA)

104.81000

Citations
ID Title Year Authors Journal DOI

cpdart0229

Advanced Synthesis & Catalysis

2002

Mann, Enrique; Chana, Antonio; Sanchez-Sancho, Francisco; Puerta, Carmen; Garcia-Merino, Antonio; Herradon, Bernardo

Advanced Synthesis & Catalysis

..