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Amino-bis-PEG3-BCN
Catalog Number | CCR270 |
IUPAC Name | [(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-[2-amino-3-[3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
Molecular Weight | 936.1 |
Molecular Formula | C47H77N5O14 |
Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)N)CCC#C1 |
InChI | InChI=1S/C47H77N5O14/c48-37(33-63-19-13-44(53)49-15-21-57-25-29-61-31-27-59-23-17-51-46(55)65-35-42-38-9-5-1-2-6-10-39(38)42)34-64-20-14-45(54)50-16-22-58-26-30-62-32-28-60-24-18-52-47(56)66-36-43-40-11-7-3-4-8-12-41(40)43/h37-43H,5-36,48H2,(H,49,53)(H,50,54)(H,51,55)(H,52,56)/t37?,38-,39+,40-,41+,42?,43? |
InChI Key | VVMOGVLTUWAOKE-HETSUFEZSA-N |
Application | SPAAC & SPANC Click Reaction |
Complexity | 1380 |
Exact Mass | 935.54670215 |
Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3[C@H]4[C@@H]3CCC#CCC4)N)CCC#C1 |
Monoisotopic Mass | 935.54670215 |
Topological Polar Surface Area | 235Ų |
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