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LG-PEG10-click-DBCO-Oleic
| Catalog Number | R14-0014 |
| Category | Azides |
| Molecular Formula | C₇₀H₁₁₄N₆O₂₃ |
| Molecular Weight | 1407.68 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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
Product Specification
Computed Properties
| 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 |
| InChIKey | XNJVMJLAXNBKFE-DFNVLTDUSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| 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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