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DBCO-biotin
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DBCO-biotin

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Catalog NumberCCR1418217954
CAS1418217-95-4
Structure
IUPAC Name5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]pentanamide
Molecular Weight502.6
Molecular FormulaC28H30N4O3S
Canonical SMILESC1C2C(C(S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
InChIInChI=1S/C28H30N4O3S/c33-25(12-6-5-11-24-27-22(18-36-24)30-28(35)31-27)29-16-15-26(34)32-17-21-9-2-1-7-19(21)13-14-20-8-3-4-10-23(20)32/h1-4,7-10,22,24,27H,5-6,11-12,15-18H2,(H,29,33)(H2,30,31,35)/t22-,24-,27-/m0/s1
InChI KeyODZDNKWGVJPVBP-DPPGTGKWSA-N
Purity99%+
ApplicationSPAAC & SPANC Click Reaction
Complexity898
Exact Mass502.20386201
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
Monoisotopic Mass502.20386201
Topological Polar Surface Area116Ų

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