VANCOMYCIN, BODIPY(R) FL CONJUGATE

pro_cas
pro_cdbregno
CCD00397669
pro_formula
C80H88BCl2F2N11O25
pro_molWeight
1723.34

basic_info

Product_Name: VANCOMYCIN, BODIPY(R) FL CONJUGATE
EnglishSynonyms: VANCOMYCIN, BODIPY(R) FL CONJUGATE
pro_mdlNumber: MFCD03613612
pro_acceptors: 36
pro_donors: 19
pro_smile: [H][C@](CC(C)C)(NC)C(=O)N[C@@H]1[C@H](O)C2=CC(Cl)=C(OC3=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(NC(=O)CCC5=[N+]6C(C=C5)=CC5=C(C)C=C(C)N5[B-]6(F)F)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@]([H])(NC(=O)[C@]([H])(CC(N)=O)NC1=O)C(=O)N[C@]1([H])C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@H](NC(=O)[C@@]([H])(NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C=C2
InChi: InChI=1S/C80H88BCl2F2N11O25/c1-31(2)18-46(87-7)72(108)92-63-65(103)36-9-15-51(44(82)21-36)117-53-23-38-24-54(69(53)121-79-70(68(106)67(105)55(30-97)119-79)120-58-29-80(6,71(107)34(5)116-58)94-57(102)17-13-39-11-12-40-25-48-32(3)19-33(4)95(48)81(84,85)96(39)40)118-52-16-10-37(22-45(52)83)66(104)64-77(113)91-62(78(114)115)43-26-41(98)27-50(100)59(43)42-20-35(8-14-49(42)99)60(74(110)93-64)90-75(111)61(38)89-73(109)47(28-56(86)101)88-76(63)112/h8-12,14-16,19-27,31,34,46-47,55,58,60-68,70-71,79,87,97-100,103-107H,13,17-18,28-30H2,1-7H3,(H2,86,101)(H,88,112)(H,89,109)(H,90,111)(H,91,113)(H,92,108)(H,93,110)(H,94,102)(H,114,115)/t34-,46+,47-,55?,58-,60+,61+,62-,63+,64-,65+,66+,67+,68-,70+,71+,79-,80-/m0/s1
InChiKey: InChIKey=HZRKHAXWRXKPPH-PVVMDOPRSA-N

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