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DBCO-SS-PEG4-biotin
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DBCO-SS-PEG4-biotin

Catalog NumberCCR179
IUPAC Name6-[(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-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
Molecular Weight927.20
Molecular FormulaC45H62N6O9S3
Canonical SMILESC1C2C(C(S1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
InChIInChI=1S/C45H62N6O9S3/c52-40(13-3-1-2-12-39-44-37(33-61-39)49-45(56)50-44)46-19-23-58-25-27-60-29-28-59-26-24-57-22-18-42(54)48-21-31-63-62-30-20-47-41(53)16-17-43(55)51-32-36-10-5-4-8-34(36)14-15-35-9-6-7-11-38(35)51/h4-11,37,39,44H,1-3,12-13,16-33H2,(H,46,52)(H,47,53)(H,48,54)(H2,49,50,56)/t37-,39-,44-/m0/s1
InChI KeyZUNYXNOVQARZNV-LJFGWUDESA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1490
Exact Mass926.37404110
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
Monoisotopic Mass926.37404110
Topological Polar Surface Area262Ų

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