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Dalbavancin B0

SZ CAT No SZ-D093009
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(CCCCCCCCC(C)C)=O)C=C%10)([H])O

Inchi: InChI=1S/C87H98Cl2N10O28/c1-5-6-7-8-9-10-11-12-14-60(105)93-69-72(108)74(110)77(85(119)120)127-86(69)126-76-57-31-42-32-58(76)123-54-24-19-41(29-49(54)88)70(106)68-84(118)97-66(79(113)91-25-13-26-99(3)4)47-33-43(101)34-56(124-87-75(111)73(109)71(107)59(37-100)125-87)61(47)46-28-39(17-22-51(46)102)64(81(115)98-68)94-82(116)65(42)95-83(117)67-48-35-45(36-53(104)62(48)89)122-55-30-40(18-23-52(55)103)63(90-2)80(114)92-50(78(112)96-67)27-38-15-20-44(121-57)21-16-38/h15-24,28-36,50,59,63-75,77,86-87,90,100-104,106-111H,5-14,25-27,37H2,1-4H3,(H,91,113)(H,92,114)(H,93,105)(H,94,116)(H,95,117)(H,96,112)(H,97,118)(H,98,115)(H,119,120)/t50-,59-,63-,64-,65-,66?,67+,68+,69-,70-,71-,72-,73+,74+,75+,77+,86-,87+/m1/s1