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TCO-PEG3-biotin
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TCO-PEG3-biotin

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Catalog NumberCCR368
IUPAC Name[(1S,4E)-Cyclooct-4-en-1-yl] N-[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]carbamate
Molecular Weight570.7
Molecular FormulaC27H46N4O7S
Canonical SMILESC1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3
InChIInChI=1S/C27H46N4O7S/c32-24(11-7-6-10-23-25-22(20-39-23)30-26(33)31-25)28-12-14-35-16-18-37-19-17-36-15-13-29-27(34)38-21-8-4-2-1-3-5-9-21/h1-2,21-23,25H,3-20H2,(H,28,32)(H,29,34)(H2,30,31,33)/b2-1+/t21-,22+,23+,25+/m1/s1
InChI KeySRGXZKRIVITUOW-PKDQRCRGSA-N
ApplicationIEDDA Click Reaction
Complexity772
Exact Mass570.30872099
Isomeric SMILESC1C/C=C/CC[C@H](C1)OC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
Monoisotopic Mass570.30872099
Topological Polar Surface Area162Ų

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