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DADPS biotin alykne
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DADPS biotin alykne

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Catalog NumberCCR2241685221
CAS2241685-22-1
SynonymsBiotin-PEG4-amino-t-Bu-DADPS-C3-alykne
IUPAC Name5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[2-methyl-2-[pent-4-ynoxy(diphenyl)silyl]oxypropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular Weight827.11
Molecular FormulaC42H62N4O9SSi
Canonical SMILESCC(C)(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)OCCCC#C
InChIInChI=1S/C42H62N4O9SSi/c1-4-5-14-23-54-57(34-15-8-6-9-16-34,35-17-10-7-11-18-35)55-42(2,3)33-44-39(48)21-24-50-26-28-52-30-31-53-29-27-51-25-22-43-38(47)20-13-12-19-37-40-36(32-56-37)45-41(49)46-40/h1,6-11,15-18,36-37,40H,5,12-14,19-33H2,2-3H3,(H,43,47)(H,44,48)(H2,45,46,49)/t36-,37-,40-/m0/s1
InChI KeyDJUQDDBYPFLTPN-HKGQQODZSA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity1210
Exact Mass826.40067728
Isomeric SMILESCC(C)(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)OCCCC#C
Monoisotopic Mass826.40067728
Topological Polar Surface Area180 Ų

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