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Biotin-PEG4-SS-alkyne
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Biotin-PEG4-SS-alkyne

Catalog CCR1260247548
CAS 1260247-54-8
IUPAC Name 4-[(3aR,6aS)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[2-[[3-(but-3-ynylamino)-3-oxopropyl]disulfanyl]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
Molecular Weight 691.92
Molecular Formula C29H49N5O8S3
Canonical SMILES C#CCCNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC1C2C(CS1)NC(=O)N2
InChI InChI=1S/C29H49N5O8S3/c1-2-3-9-30-27(37)8-20-44-45-21-11-32-26(36)7-12-39-14-16-41-18-19-42-17-15-40-13-10-31-25(35)6-4-5-24-28-23(22-43-24)33-29(38)34-28/h1,23-24,28H,3-22H2,(H,30,37)(H,31,35)(H,32,36)(H2,33,34,38)/t23-,24?,28-/m1/s1
InChI Key OBMQVSWBFJZVLH-ITYCQJBESA-N
Boiling Point 990.6±65.0 °C(Predicted)
Application CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity 926
Exact Mass 691.27432706
Isomeric SMILES C#CCCNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC1[C@H]2[C@@H](CS1)NC(=O)N2
Monoisotopic Mass 691.27432706
pKa 13.90±0.40(Predicted)
Topological Polar Surface Area 241 Ų

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