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Dalbavancin Impurity 8

SZ CAT No SZ-D093014
CAS No NA
Mol.F. C86H96Cl2N10O28
Mol.Wt. 1788.7
Inv. Status Custom Synthesis


Smiles: ClC1=C(OC2=CC3=CC(OC4=CC=C(C5)C=C4)=C2O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6NC(CCCCCCCCC)=O)C=CC([C@]([H])([C@@]([H])(C(N[C@]7([H])C(NCCCN(C)C)=O)=O)NC([C@@]([H])(C8=CC(C9=C7C=C(O)C=C9O[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%10O)=C(O)C=C8)NC([C@]3([H])NC([C@@](C%11=C(Cl)C(O)=CC%12=C%11)([H])NC([C@]5([H])NC([C@](C%13=CC=C(O)C(O%12)=C%13)([H])NC)=O)=O)=O)=O)=O)O)=C1

Inchi: InChI=1S/C86H96Cl2N10O28/c1-36(2)11-8-6-7-9-12-59(104)92-68-71(107)73(109)76(84(118)119)126-85(68)125-75-56-29-41-30-57(75)122-53-22-17-40(27-48(53)87)69(105)67-83(117)96-65(78(112)90-23-10-24-98(4)5)46-31-42(100)32-55(123-86-74(110)72(108)70(106)58(35-99)124-86)60(46)45-26-38(15-20-50(45)101)63(80(114)97-67)93-81(115)64(41)94-82(116)66-47-33-44(34-52(103)61(47)88)121-54-28-39(16-21-51(54)102)62(89-3)79(113)91-49(77(111)95-66)25-37-13-18-43(120-56)19-14-37/h13-22,26-34,36,49,58,62-74,76,85-86,89,99-103,105-110H,6-12,23-25,35H2,1-5H3,(H,90,112)(H,91,113)(H,92,104)(H,93,115)(H,94,116)(H,95,111)(H,96,117)(H,97,114)(H,118,119)/t49-,58-,62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72+,73+,74+,76+,85-,86+/m1/s1