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DBCO-PEG4-SS-TCO
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DBCO-PEG4-SS-TCO

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Catalog NumberCCR176
IUPAC Name[(1S,4E)-Cyclooct-4-en-1-yl] N-[2-[2-[3-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyldisulfanyl]ethyl]carbamate
Molecular Weight839.07
Molecular FormulaC43H58N4O9S2
Canonical SMILESC1CC=CCCC(C1)OC(=O)NCCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C43H58N4O9S2/c48-40(18-19-42(50)47-34-37-12-7-6-10-35(37)16-17-36-11-8-9-15-39(36)47)44-21-25-53-27-29-55-31-30-54-28-26-52-24-20-41(49)45-22-32-57-58-33-23-46-43(51)56-38-13-4-2-1-3-5-14-38/h1-2,6-12,15,38H,3-5,13-14,18-34H2,(H,44,48)(H,45,49)(H,46,51)/b2-1+/t38-/m1/s1
InChI KeyPLNJLVRXRBJPOE-FXUJNMGCSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1310
Exact Mass838.36452179
Isomeric SMILESC1C/C=C/CC[C@H](C1)OC(=O)NCCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Monoisotopic Mass838.36452179
Topological Polar Surface Area204Ų

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