Chemical Name: (1.2M)-Vancomycin B (3.2-syn-chloro-vancomycin B)
Smiles: O[C@H]([C@H]1O[C@@H]2O[C@@H](C)[C@@H](O)[C@](N)(C)C2)[C@H](O)[C@@H](CO)O[C@H]1OC3=C(OC4=C(Cl)C=C([C@@]5([H])O)C=C4)C=C([C@@](C(N[C@@]6([H])C(N[C@]5([H])C(N[C@@](C(O)=O)([H])C7=CC(O)=CC(O)=C7C8=C(O)C=CC6=C8)=O)=O)=O)([H])NC([C@@](CC(N)=O)([H])N9)=O)C=C3OC%10=C(Cl)C=C([C@@]([H])(O)[C@](NC([C@@](NC)([H])CC(C)C)=O)([H])C9=O)C=C%10
Inchi: InChI=1S/C66H76ClN9O24/c1-24(2)14-35(70-5)58(87)75-50-52(83)28-9-13-39(34(67)16-28)97-41-18-29-17-40(55(41)100-65-56(54(85)53(84)42(23-77)98-65)99-44-22-66(4,69)57(86)25(3)95-44)96-31-10-6-26(7-11-31)51(82)49-63(92)74-48(64(93)94)33-19-30(78)20-38(80)45(33)32-15-27(8-12-37(32)79)46(60(89)76-49)73-61(90)47(29)72-59(88)36(21-43(68)81)71-62(50)91/h6-13,15-20,24-25,35-36,42,44,46-54,56-57,65,70,77-80,82-86H,14,21-23,69H2,1-5H3,(H2,68,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94)/t25-,35+,36-,42+,44-,46+,47+,48-,49-,50+,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1