conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01109

Chemical structure


molecule
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cpd01109


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
ACKGGGGXQ (3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid
Identification
ConjuPepDB ID

cpd01109

Smiles
Inchi Key

InChIKey=OGKRNQBFQKQZQZ-UHFFFAOYSA-N

Molecular weight

1425.73

Molecular formula

C66H103N15O18S

Chemical name
Peptide information
Sequence (one letter)

ACKGGGGXQ

Length

9

Peptide name

N/A

External ID
CAS number

1001202-23-8

Other information
Application

Synthesis

Additional function

development of a peptide vaccine against measles

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

(3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid

Small molecule CAS

261957-67-9

Calculated properties
LogP

-5.75596

Rotatable bonds

21

H bond donor

16

H bond acceptor

19

Polar surface area (PSA)

514.13000

Citations
ID Title Year Authors Journal DOI

cpdart0171

Validation of a solid-phase-bound steroid scaffold for the synthesis of novel cyclic peptidosteroids

2007

Bode, Catherine A.; Muller, Claude P.; Madder, Annemieke

Journal of Peptide Science

..