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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-TFP ester
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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-TFP ester

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Catalog NumberCCR341
IUPAC Name(2,3,5,6-Tetrafluorophenyl) 3-[2-[2-[2-[2-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Weight1071.1
Molecular FormulaC48H66F4N8O13S
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC3=C(C(=CC(=C3F)F)F)F)C(=O)CCCCC4C5C(CS4)NC(=O)N5
InChIInChI=1S/C48H66F4N8O13S/c1-33-56-58-47(59-57-33)35-8-6-34(7-9-35)30-40(61)53-11-15-66-19-23-70-27-29-72-25-21-68-17-13-60(41(62)5-3-2-4-39-45-38(32-74-39)54-48(64)55-45)12-16-67-20-24-71-28-26-69-22-18-65-14-10-42(63)73-46-43(51)36(49)31-37(50)44(46)52/h6-9,31,38-39,45H,2-5,10-30,32H2,1H3,(H,53,61)(H2,54,55,64)/t38-,39?,45-/m1/s1
InChI KeyAVDGBJLCDYOWAU-OPYYWWDYSA-N
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity1570
Exact Mass1070.44061801
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC3=C(C(=CC(=C3F)F)F)F)C(=O)CCCCC4[C@H]5[C@@H](CS4)NC(=O)N5
Monoisotopic Mass1070.44061801
Topological Polar Surface Area268Ų

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