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Dalbavancin B1

SZ CAT No SZ-D093010
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(OC7=C(O)C=CC([C@](NC)([H])C8=O)=C7)=C6)([H])N9)=O)=O)=O)([H])[C@](C%10=CC(Cl)=C(OC%11=CC5=CC(OC%12=CC=C(C[C@](N8)([H])C9=O)C=C%12)=C%11O[C@@H]%13O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]%13NC(CCCCCCCCCCC)=O)C=C%10)([H])O

Inchi: InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(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