Micafungin sodium（CAS号：208538-73-2）

CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@H]2N(C[CH]NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C3)O)[C@@H]([C@H](c1ccc(c(c1)OS(=O)(=O)O)O)O)O)C[C@@H]([C@@H]2O)C

InChI

InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1

InChIKey

KOOAFHGJVIVFMZ-WZPXRXMFSA-M

LogP

-1.8717099999999864

拓扑极性表面积

429.7500000000001 Ų

氢键供体/受体

14 / 28

复杂度

2580