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TCO-PEG4-biotin
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TCO-PEG4-biotin

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Catalog NumberCCR2183440302
CAS2183440-30-2
Structure
SynonymsBiotin-PEG4-TCO
IUPAC Name[(4Z)-Cyclooct-4-en-1-yl] N-[2-[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]ethyl]carbamate
Molecular Weight614.8
Molecular FormulaC29H50N4O8S
Canonical SMILESC1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3
InChIInChI=1S/C29H50N4O8S/c34-26(11-7-6-10-25-27-24(22-42-25)32-28(35)33-27)30-12-14-37-16-18-39-20-21-40-19-17-38-15-13-31-29(36)41-23-8-4-2-1-3-5-9-23/h1-2,23-25,27H,3-22H2,(H,30,34)(H,31,36)(H2,32,33,35)/b2-1-/t23?,24-,25-,27-/m0/s1
InChI KeyOADGBCNDNVFPDA-MSCWDKBPSA-N
SolubilitySoluble in DMSO, DCM, DMF
ApplicationIEDDA Click Reaction
Complexity821
Exact Mass614.33493574
Isomeric SMILESC1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
Monoisotopic Mass614.33493574
Topological Polar Surface Area171Ų

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