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Tetrazine-diazo-PEG4-biotin
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Tetrazine-diazo-PEG4-biotin

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Catalog NumberCCR321
IUPAC Name4-[[5-[2-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-2-hydroxyphenyl]diazenyl]-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
Molecular Weight928.1
Molecular FormulaC45H57N11O9S
Canonical SMILESC1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC3=CC(=C(C=C3)O)N=NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)NC(=O)N2
InChIInChI=1S/C45H57N11O9S/c57-38-14-7-31(27-36(38)54-53-35-12-10-34(11-13-35)44(60)48-28-32-5-8-33(9-6-32)43-55-49-30-50-56-43)15-17-46-41(59)16-19-62-21-23-64-25-26-65-24-22-63-20-18-47-40(58)4-2-1-3-39-42-37(29-66-39)51-45(61)52-42/h5-14,27,30,37,39,42,57H,1-4,15-26,28-29H2,(H,46,59)(H,47,58)(H,48,60)(H2,51,52,61)/t37-,39-,42-/m0/s1
InChI KeyPRZZCAMZDCKTKM-RYUVBBIPSA-N
ApplicationIEDDA Click Reaction
Complexity1470
Exact Mass927.40614361
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC3=CC(=C(C=C3)O)N=NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)NC(=O)N2
Monoisotopic Mass927.40614361
Topological Polar Surface Area287Ų

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