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View Conjugates details

ConjuPepDB ID: cpd01069

Chemical structure


molecule
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cpd01069


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
RPD (1′R,3′R,4′aS,4′bR,6′aS,8′S,10′aS,10′bS,12′aS)-1′-[1H]phenanthro[2,1-c]pyran]-3′-carboxylic acid, octadecahydro-8′-methoxy-10′a,12′a-dimethyl-Spiro[furan-2(3H)
Identification
ConjuPepDB ID

cpd01069

Smiles
Molecular weight

863.516

Molecular formula

C46H69N7O9

Chemical name
Peptide information
Sequence (one letter)

RPD

Length

3

Peptide name

tripeptide

External ID
CAS number

1095492-85-5

Other information
Application

Integrin antagonist

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

(1′R,3′R,4′aS,4′bR,6′aS,8′S,10′aS,10′bS,12′aS)-1′-[1H]phenanthro[2,1-c]pyran]-3′-carboxylic acid, octadecahydro-8′-methoxy-10′a,12′a-dimethyl-Spiro[furan-2(3H)

Small molecule CAS

1095492-78-9

Structure method

1H and 13C NMR, RP-HPLC

Calculated properties
LogP

0.97315

Rotatable bonds

15

H bond donor

7

H bond acceptor

12

Polar surface area (PSA)

234.50000

Citations
ID Title Year Authors Journal DOI

cpdart0159

Triple Hybrids of Steroids, Spiroketals, and Oligopeptides as New Biomolecular Chimeras

2009

Banerjee, Abhisek; Sergienko, Eduard; Vasile, Stefan; Gupta, Vineet; Vuori, Kristiina; Wipf, Peter

Organic Letters

..