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BCN-PEG3-VC-PFP ester
| Catalog | CCR2353409455 |
| CAS | 2353409-45-5 |
| IUPAC Name | (2,3,4,5,6-Pentafluorophenyl) (2S)-2-[[(2S)-2-[3-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoate |
| Molecular Weight | 819.8 |
| Molecular Formula | C37H50F5N5O10 |
| Canonical SMILES | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)CCOCCOCCOCCNC(=O)OCC2C3C2CCC#CCC3 |
| InChI | InChI=1S/C37H50F5N5O10/c1-21(2)32(34(49)46-25(10-7-12-44-36(43)51)35(50)57-33-30(41)28(39)27(38)29(40)31(33)42)47-26(48)11-14-53-16-18-55-19-17-54-15-13-45-37(52)56-20-24-22-8-5-3-4-6-9-23(22)24/h21-25,32H,5-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,48)(H3,43,44,51)/t22-,23+,24?,25-,32-/m0/s1 |
| InChI Key | ODFSIYMVJDIAIS-COWKONOXSA-N |
| Purity | 96% |
| Solubility | Soluble in DMSO, DCM, DMF |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C |
| Complexity | 1350 |
| Exact Mass | 819.34778362 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)CCOCCOCCOCCNC(=O)OCC2[C@H]3[C@@H]2CCC#CCC3 |
| Monoisotopic Mass | 819.34778362 |
| Topological Polar Surface Area | 206Ų |
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