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TAMRA biotin alkyne
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TAMRA biotin alkyne

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Catalog NumberCCR149
IUPAC Name5-[[3-[[3-[2-[2-[2-[2-[5-[(3aS,4R,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
Molecular Weight1189.4
Molecular FormulaC60H84N8O15S
Canonical SMILESCN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)CCOCCOCCOCCOCC=C)C(=O)[O-]
InChIInChI=1S/C60H84N8O15S/c1-6-24-76-28-32-80-36-37-82-35-31-79-27-23-68(22-18-54(70)62-21-26-78-30-34-81-33-29-77-25-20-61-53(69)10-8-7-9-52-57-49(41-84-52)64-60(75)65-57)55(71)17-19-63-58(72)42-11-14-45(48(38-42)59(73)74)56-46-15-12-43(66(2)3)39-50(46)83-51-40-44(67(4)5)13-16-47(51)56/h6,11-16,38-40,49,52,57H,1,7-10,17-37,41H2,2-5H3,(H5-,61,62,63,64,65,69,70,72,73,74,75)/t49-,52+,57-/m0/s1
InChI KeyCENPPBJIBMPXOM-GOOHYCCTSA-N
AppearanceSolid
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage-20 °C
Complexity2210
Exact Mass1188.57768518
Isomeric SMILESCN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCC(=O)N(CCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@@H]6[C@H](CS5)NC(=O)N6)CCOCCOCCOCCOCC=C)C(=O)[O-]
Monoisotopic Mass1188.57768518
Topological Polar Surface Area294Ų

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