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Mal-PEG2-bis-PEG3-BCN
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Mal-PEG2-bis-PEG3-BCN

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Catalog NumberCCR281
IUPAC Name[(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-[3-[3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight1246.4
Molecular FormulaC61H95N7O20
Canonical SMILESC1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)NC(=O)CCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)CCC#C1
InChIInChI=1S/C61H95N7O20/c69-54(15-24-68-58(73)13-14-59(68)74)62-19-28-78-34-33-77-25-18-57(72)67-47(43-85-26-16-55(70)63-20-29-79-35-39-83-41-37-81-31-22-65-60(75)87-45-52-48-9-5-1-2-6-10-49(48)52)44-86-27-17-56(71)64-21-30-80-36-40-84-42-38-82-32-23-66-61(76)88-46-53-50-11-7-3-4-8-12-51(50)53/h13-14,47-53H,5-12,15-46H2,(H,62,69)(H,63,70)(H,64,71)(H,65,75)(H,66,76)(H,67,72)/t47?,48-,49+,50-,51+,52?,53?
InChI KeyZPEASSRKFCPIAQ-CGEHAQFTSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity2120
Exact Mass1245.66318845
Isomeric SMILESC1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3[C@H]4[C@@H]3CCC#CCC4)NC(=O)CCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)CCC#C1
Monoisotopic Mass1245.66318845
Topological Polar Surface Area323Ų

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