LG-PEG10-click-DBCO-Oleic

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LG-PEG10-click-DBCO-Oleic

LG-PEG10-click-DBCO-Oleic

Catalog Number R14-0014
Category Azides
Molecular Formula C₇₀H₁₁₄N₆O₂₃
Molecular Weight 1407.68
Catalog Number Size Price Quantity
R14-0014 -- $--

Product Introduction

LG-PEG10-click-DBCO-Oleic is a polyethylene glycol (PEG)-based PROTAC linker. LG-PEG10-click-DBCO-Oleic can be used in the synthesis of a series of PROTACs.

Chemical Information

IUPAC Name (Z)-N-[3-oxo-3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]propyl]octadec-9-enamide
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C3=C(C4=CC=CC=C41)N=NN3CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(C(C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
InChI InChI=1S/C70H114N6O23/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-59(80)71-27-26-60(81)75-50-53-21-17-18-22-54(53)62-61(55-23-19-20-24-56(55)75)73-74-76(62)29-31-89-33-35-91-37-39-93-41-43-95-45-47-97-49-48-96-46-44-94-42-40-92-38-36-90-34-32-88-30-28-72-69(87)66(85)65(84)68(57(79)51-77)99-70-67(86)64(83)63(82)58(52-78)98-70/h9-10,17-24,57-58,63-68,70,77-79,82-86H,2-8,11-16,25-52H2,1H3,(H,71,80)(H,72,87)/b10-9-/t57-,58-,63+,64+,65-,66-,67-,68?,70+/m1/s1
InChI Key XNJVMJLAXNBKFE-DFNVLTDUSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 1.7
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 25
Rotatable Bond Count 59
Exact Mass 1406.79353390 g/mol
Monoisotopic Mass 1406.79353390 g/mol
Topological Polar Surface Area 382Ų
Heavy Atom Count 99
Formal Charge 0
Complexity 2070
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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