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DM1-MCC-PEG4-BCN
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DM1-MCC-PEG4-BCN

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Catalog NumberCCR293
IUPAC Name[(2R,3S,5S,6S,16E,18E,20R)-11-Chloro-21-hydroxy-12,20-Dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2R)-2-[3-[3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylsulfanyl]propanoyl-methylamino]propanoate
Molecular Weight1161.8
Molecular FormulaC57H81ClN4O17S
Canonical SMILESCC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSC(=O)CCOCCOCCOCCOCCNC(=O)OCC5C6C5CCC#CCC6)C)C)OC)(NC(=O)O2)O
InChIInChI=1S/C57H81ClN4O17S/c1-36-14-13-17-46(71-8)57(69)34-45(77-55(68)60-57)37(2)52-56(4,79-52)47(33-49(64)62(6)43-31-39(30-36)32-44(70-7)51(43)58)78-53(66)38(3)61(5)48(63)19-29-80-50(65)18-21-72-23-25-74-27-28-75-26-24-73-22-20-59-54(67)76-35-42-40-15-11-9-10-12-16-41(40)42/h13-14,17,31-32,37-38,40-42,45-47,52,69H,11-12,15-16,18-30,33-35H2,1-8H3,(H,59,67)(H,60,68)/b17-13+,36-14+/t37-,38-,40-,41+,42?,45?,46-,47+,52+,56+,57?/m1/s1
InChI KeyISHMUVCIIJNKLP-HHZGTFIOSA-N
Purity95%
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2210
Exact Mass1160.5005960
Isomeric SMILESC[C@H]1[C@H]2[C@@](O2)([C@H](CC(=O)N(C3=C(C(=CC(=C3)C/C(=C/C=C/[C@H](C4(CC1OC(=O)N4)O)OC)/C)OC)Cl)C)OC(=O)[C@@H](C)N(C)C(=O)CCSC(=O)CCOCCOCCOCCOCCNC(=O)OCC5[C@H]6[C@@H]5CCC#CCC6)C
Monoisotopic Mass1160.5005960
Topological Polar Surface Area274Ų

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