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Biotin-PEG4-MeTz
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Biotin-PEG4-MeTz

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Catalog NumberCCR1962919318
CAS1962919-31-8
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-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular Weight674.81
Molecular FormulaC31H46N8O7S
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChIInChI=1S/C31H46N8O7S/c1-22-36-38-30(39-37-22)24-8-6-23(7-9-24)20-33-28(41)10-12-43-14-16-45-18-19-46-17-15-44-13-11-32-27(40)5-3-2-4-26-29-25(21-47-26)34-31(42)35-29/h6-9,25-26,29H,2-5,10-21H2,1H3,(H,32,40)(H,33,41)(H2,34,35,42)/t25-,26-,29-/m0/s1
InChI KeyFVPKDWZJCYTWCS-ZEZDXWPOSA-N
Density1.229±0.06 g/cm3(Predicted)
ApplicationIEDDA Click Reaction
Complexity924
Exact Mass674.32101701
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
Monoisotopic Mass674.32101701
pKa13.90±0.40(Predicted)
Topological Polar Surface Area213Ų

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