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Dalbavancin Impurity 6

SZ CAT No SZ-D093012
CAS No NA
Mol.F. C88H100Cl2N10O28
Mol.Wt. 1816.7
Inv. Status Custom Synthesis


Smiles: O=C1[C@](NC([C@](C2=CC(C3=C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C=C(O)C=C3[C@H](C(NCCCN(C)C)=O)N1)=C(O)C=C2)([H])NC([C@]5([H])NC([C@@](C6=C(Cl)C(O)=CC(O7)=C6)([H])N8)=O)=O)=O)([H])[C@](C9=CC(Cl)=C(OC%10=CC5=CC(OC%11=CC=C(C[C@](NC([C@@](NC)([H])C%12=CC(O)=C7C=C%12)=O)([H])C8=O)C=C%11)=C%10O[C@@H]%13O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]%13NC(CCCCCCCCC(C)C)=O)C=C9)([H])O

Inchi: InChI=1S/C89H102Cl2N10O28/c1-39(2)14-11-9-7-8-10-12-15-62(107)94-70-74(110)76(112)79(87(121)122)129-88(70)128-78-59-32-44-33-60(78)125-56-25-20-43(30-51(56)90)72(108)69-85(119)98-67(81(115)92-26-13-27-100(3)4)49-34-45(103)35-58(126-89-77(113)75(111)73(109)61(38-102)127-89)63(49)48-29-41(18-23-53(48)104)65(82(116)99-69)95-83(117)66(44)96-84(118)68-50-36-47(37-55(106)64(50)91)124-57-31-42(19-24-54(57)105)71(101(5)6)86(120)93-52(80(114)97-68)28-40-16-21-46(123-59)22-17-40/h16-25,29-37,39,52,61,65-77,79,88-89,102-106,108-113H,7-15,26-28,38H2,1-6H3,(H,92,115)(H,93,120)(H,94,107)(H,95,117)(H,96,118)(H,97,114)(H,98,119)(H,99,116)(H,121,122)/t52-,61-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74-,75+,76+,77+,79+,88-,89+/m1/s1