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Dde biotin-PEG4-alkyne
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Dde biotin-PEG4-alkyne

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Catalog NumberCCR1802908004
CAS1802908-00-4
SynonymsBiotin-PEG(4)-Dde-alkyne
IUPAC Name5-[(3aR,4R,6aS)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-prop-2-ynyliminopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular Weight650.83
Molecular FormulaC32H50N4O8S
Canonical SMILESCC1(CC(=C(C(=O)C1)C(=NCC#C)CCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)O)C
InChIInChI=1S/C32H50N4O8S/c1-4-10-33-23(29-25(37)20-32(2,3)21-26(29)38)9-12-41-14-16-43-18-19-44-17-15-42-13-11-34-28(39)8-6-5-7-27-30-24(22-45-27)35-31(40)36-30/h1,24,27,30,37H,5-22H2,2-3H3,(H,34,39)(H2,35,36,40)/t24-,27-,30-/m1/s1
InChI KeyBDJHEZRAKBBIJH-UCVANPEUSA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity1100
Exact Mass650.33493574
Isomeric SMILESCC1(CC(=C(C(=O)C1)C(=NCC#C)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2[C@H]3[C@@H](CS2)NC(=O)N3)O)C
Monoisotopic Mass650.33493574
Topological Polar Surface Area182 Ų

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