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Diazo biotin-PEG3-DBCO
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Diazo biotin-PEG3-DBCO

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Catalog NumberCCR186
IUPAC NameN-[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]ethyl]-4-[[5-[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]ethyl]-2-hydroxyphenyl]diazenyl]benzamide
Molecular Weight973.1
Molecular FormulaC52H60N8O9S
Canonical SMILESC1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)N=NC4=C(C=CC(=C4)CCNC(=O)CCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)O)NC(=O)N2
InChIInChI=1S/C52H60N8O9S/c61-45-20-13-36(23-24-53-48(63)21-22-49(64)60-34-40-9-2-1-7-37(40)14-15-38-8-3-4-10-44(38)60)33-42(45)59-58-41-18-16-39(17-19-41)51(65)55-26-28-68-30-32-69-31-29-67-27-25-54-47(62)12-6-5-11-46-50-43(35-70-46)56-52(66)57-50/h1-4,7-10,13,16-20,33,43,46,50,61H,5-6,11-12,21-32,34-35H2,(H,53,63)(H,54,62)(H,55,65)(H2,56,57,66)/t43-,46-,50-/m0/s1
InChI KeyFPHXPUQEWGXHLT-FSLQXRBPSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1790
Exact Mass972.42039669
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)N=NC4=C(C=CC(=C4)CCNC(=O)CCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)O)NC(=O)N2
Monoisotopic Mass972.42039669
Topological Polar Surface Area247Ų

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