AOD 9604（CAS号：221231-10-3）

CCC(C(C(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)C(=O)NCC(=O)NC(C(=O)O)Cc1ccccc1)CCC(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCNC(=N)N)C

InChI

InChI=1S/C78H123N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-69(116)50(29-38(2)3)95-63(110)45(79)30-43-19-21-44(104)22-20-43)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55-37-126-125-36-54(65(112)88-32-57(106)89-51(76(123)124)31-42-15-11-10-12-16-42)97-70(117)52(34-102)90-58(107)33-87-64(111)48(24-26-59(108)109)93-73(120)60(39(4)5)99-71(118)53(35-103)96-66(113)46(92-72(55)119)17-13-27-85-77(81)82/h10-12,15-16,19-22,38-41,45-55,60-62,102-104H,9,13-14,17-18,23-37,79H2,1-8H3,(H2,80,105)(H,87,111)(H,88,112)(H,89,106)(H,90,107)(H,91,116)(H,92,119)(H,93,120)(H,94,121)(H,95,110)(H,96,113)(H,97,117)(H,98,114)(H,99,118)(H,100,122)(H,101,115)(H,108,109)(H,123,124)(H4,81,82,85)(H4,83,84,86)

InChIKey

GVIYUKXRXPXMQM-UHFFFAOYSA-N

LogP

-7.435259999999945

拓扑极性表面积

764.6999999999999 Ų

氢键供体/受体

32 / 46

复杂度

3710