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Dalbavancin Impurity 4

SZ CAT No SZ-D093005
CAS No NA
Mol.F. C89H102Cl2N10O28
Mol.Wt. 1830.7
Inv. Status Custom Synthesis


Smiles: OC1=CC([C@@H](N(C)C)C(N[C@@H](C(N[C@@H]2C(N[C@H](C3=CC(O4)=C(O[C@H]5[C@H](NC(CCCCCCCCC(C)C)=O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)C6=C3)C(N[C@H](C7=CC(C8=C9C=C(O)C=C8O[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%10O)=C(O)C=C7)C(N[C@H](C(N[C@@H]9C(NCCCN(C)C)=O)=O)[C@H](O)C(C=C%11)=CC(Cl)=C%11O6)=O)=O)=O)=O)CC%12=CC=C4C=C%12)=O)=CC=C1OC%13=CC2=C(Cl)C(O)=C%13

Inchi: InChI=1S/C88H100Cl2N10O28/c1-5-6-7-8-9-10-11-12-13-15-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-32-43-33-59(77)124-55-24-20-42(30-50(55)89)71(107)69-85(119)98-67(80(114)92-26-14-27-100(3)4)48-34-44(102)35-57(125-88-76(112)74(110)72(108)60(38-101)126-88)62(48)47-29-40(18-23-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-36-46(37-54(105)63(49)90)123-56-25-19-41(31-53(56)104)64(91-2)81(115)93-51(79(113)97-68)28-39-16-21-45(122-58)22-17-39/h16-25,29-37,51,60,64-76,78,87-88,91,101-105,107-112H,5-15,26-28,38H2,1-4H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1