MC-Val-Cit-PAB-MMAF（CAS号：863971-17-9）

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InChI

InChI=1S/C68H103N11O16/c1-14-43(8)59(51(93-12)38-55(83)78-36-22-26-50(78)60(94-13)44(9)61(84)73-49(66(89)90)37-45-23-17-15-18-24-45)76(10)65(88)57(41(4)5)75-64(87)58(42(6)7)77(11)68(92)95-39-46-28-30-47(31-29-46)71-62(85)48(25-21-34-70-67(69)91)72-63(86)56(40(2)3)74-52(80)27-19-16-20-35-79-53(81)32-33-54(79)82/h15,17-18,23-24,28-33,40-44,48-51,56-60H,14,16,19-22,25-27,34-39H2,1-13H3,(H,71,85)(H,72,86)(H,73,84)(H,74,80)(H,75,87)(H,89,90)(H3,69,70,91)/t43-,44+,48-,49-,50-,51+,56-,57-,58-,59-,60+/m0/s1

InChIKey

BDITVJHHJUTHBB-DNIGJBFUSA-N

LogP

4.650800000000004

拓扑极性表面积

363.92 Ų

氢键供体/受体

9 / 27

复杂度

2590