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N-(Fmoc-N-amido-PEG4)-N-Biotin-PEG4-t-Boc-Hydrazide
| Catalog Number | R01-0322 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C55H81N7O15S |
| Molecular Weight | 1112.4 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)C(=O)CCCCC4C5C(CS4)NC(=O)N5 |
| InChI | InChI=1S/C55H81N7O15S/c1-55(2,3)77-54(68)60-59-49(64)20-24-69-28-32-73-36-38-75-34-30-71-26-22-61(50(65)15-9-8-14-47-52-45(41-78-47)57-53(67)58-52)23-27-72-31-35-76-39-37-74-33-29-70-25-21-56-48(63)18-19-51(66)62-40-44-12-5-4-10-42(44)16-17-43-11-6-7-13-46(43)62/h4-7,10-13,45,47,52H,8-9,14-15,18-41H2,1-3H3,(H,56,63)(H,59,64)(H,60,68)(H2,57,58,67) |
| InChIKey | IFMIXAJBFNBYMB-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 40 |
| Exact Mass | 1111.55113608 g/mol |
| Monoisotopic Mass | 1111.55113608 g/mol |
| Topological Polar Surface Area | 277Ų |
| Heavy Atom Count | 78 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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