硫酸博莱霉素 | 9041-93-4

Mol：

9041-93-4.mol    by:chem960.com
    ChemDraw08031019472D

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M  CHG  2   2  -1  73   1
M  END                                                    

硫酸博莱霉素 MDL： MFCD00070310

硫酸博莱霉素 InChIKey： WUIABRMSWOKTOF-OCBSMOPSSA-N

硫酸博莱霉素 Inchi： InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21?,22?,23?,24?,25?,29-,30+,34?,35?,36?,37+,38+,39-,40-,41?,42-,43-,53+,54-;/m0./s1

硫酸博莱霉素 SMILES： S(O)(=O)(=O)[O-].[C@@H]1(OC(=O)N)[C@H](O)[C@H](O[C@@H]([C@H]1O)CO)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]1OC(C1=CNC=N1)C(NC(=O)C1=C(C)C(N)=NC(C(NCC(N)C(N)=O)CC(N)=O)=N1)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(NCCC1SC=C(C2SC=C(C(NCCC[S+](C)C)=O)N=2)N=1)=O)CO

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