LOGO
WSPC biotin-PEG3-DBCO
Navigation
Online Inquiry
Verification code

WSPC biotin-PEG3-DBCO

Online Inquiry
Catalog NumberCCR191
IUPAC Name1-[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]ethylamino]-3-[4-[4-[1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyloxy]ethyl]-2-methoxy-5-nitrophenoxy]butanoylamino]-1-oxopropane-2-sulfonic acid
Molecular Weight1153.3
Molecular FormulaC53H68N8O17S2
Canonical SMILESCC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC(C(=O)NCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)O)OC)OC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChIInChI=1S/C53H68N8O17S2/c1-35(78-53(67)56-20-19-49(64)60-33-38-12-4-3-10-36(38)17-18-37-11-5-6-13-41(37)60)39-30-43(73-2)44(31-42(39)61(68)69)77-23-9-16-48(63)57-32-46(80(70,71)72)51(65)55-22-25-75-27-29-76-28-26-74-24-21-54-47(62)15-8-7-14-45-50-40(34-79-45)58-52(66)59-50/h3-6,10-13,30-31,35,40,45-46,50H,7-9,14-16,19-29,32-34H2,1-2H3,(H,54,62)(H,55,65)(H,56,67)(H,57,63)(H2,58,59,66)(H,70,71,72)/t35?,40-,45-,46?,50-/m0/s1
InChI KeyVXNHEVDLDQWVJJ-NHJLCCERSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity2230
Exact Mass1152.41438508
Isomeric SMILESCC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCC(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)O)OC)OC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
Monoisotopic Mass1152.41438508
Topological Polar Surface Area367Ų

Please kindly note that our products and services are for research use only.