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Methyltetrazine-SS-PEG4-biotin
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Methyltetrazine-SS-PEG4-biotin

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Catalog NumberCCR308
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-[[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular Weight838.1
Molecular FormulaC36H55N9O8S3
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChIInChI=1S/C36H55N9O8S3/c1-26-42-44-35(45-43-26)28-8-6-27(7-9-28)24-39-33(48)11-22-55-56-23-13-38-32(47)10-14-50-16-18-52-20-21-53-19-17-51-15-12-37-31(46)5-3-2-4-30-34-29(25-54-30)40-36(49)41-34/h6-9,29-30,34H,2-5,10-25H2,1H3,(H,37,46)(H,38,47)(H,39,48)(H2,40,41,49)/t29-,30-,34-/m0/s1
InChI KeyUKBCAHXVSFWHAZ-RRURFNPQSA-N
ApplicationIEDDA Click Reaction
Complexity1140
Exact Mass837.33357327
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
Monoisotopic Mass837.33357327
Topological Polar Surface Area293Ų

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