ACTH (2-24) (human, bovine, rat)（CAS号：67654-32-4）

S(C)CCC(C(NC(CCC(=O)O)C(NC(CC1=CNC=N1)C(NC(CC1C=CC=CC=1)C(NC(CCCNC(=N)N)C(NC(CC1=CNC2C=CC=CC1=2)C(NCC(NC(CCCCCN)C(N1CCCC1C(NC(C(NCC(NC(CCCCN)C(NC(CCCCN)C(NC(CCCNC(=N)N)C(NC(CCCNC(=N)N)C(N1CCCC1C(NC(C(NC(C(NC(C(NC(CC1C=CC(=CC=1)O)C(N1CCCC1C(=O)O)=O)=O)C(C)C)=O)CCCCN)=O)C(C)C)=O)=O)=O)=O)=O)=O)=O)C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC(C(CO)NC(C(CC1C=CC(=CC=1)O)N)=O)=O

InChI

1S/C134H207N39O29S/c1-75(2)108(125(195)152-72-105(177)154-88(32-15-19-54-136)113(183)156-89(33-16-20-55-137)114(184)157-91(36-22-57-147-132(140)141)115(185)162-96(38-24-59-149-134(144)145)129(199)172-61-26-40-103(172)124(194)170-110(77(5)6)126(196)161-90(34-17-21-56-138)119(189)168-109(76(3)4)127(197)166-100(66-80-44-48-84(176)49-45-80)130(200)173-62-27-41-104(173)131(201)202)169-123(193)102-39-25-60-171(102)128(198)95(35-12-9-18-53-135)155-106(178)71-151-112(182)98(67-81-69-150-87-31-14-13-30-85(81)87)164-116(186)92(37-23-58-148-133(142)143)158-120(190)97(65-78-28-10-8-11-29-78)163-121(191)99(68-82-70-146-74-153-82)165-117(187)93(50-51-107(179)180)159-118(188)94(52-63-203-7)160-122(192)101(73-174)167-111(181)86(139)64-79-42-46-83(175)47-43-79/h8,10-11,13-14,28-31,42-49,69-70,74-77,86,88-104,108-110,150,174-176H,9,12,15-27,32-41,50-68,71-73,135-139H2,1-7H3,(H,146,153)(H,151,182)(H,152,195)(H,154,177)(H,155,178)(H,156,183)(H,157,184)(H,158,190)(H,159,188)(H,160,192)(H,161,196)(H,162,185)(H,163,191)(H,164,186)(H,165,187)(H,166,197)(H,167,181)(H,168,189)(H,169,193)(H,170,194)(H,179,180)(H,201,202)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)

InChIKey

UCMABAPARYUDEN-UHFFFAOYSA-N

LogP

-6.051489999999907

拓扑极性表面积

1109.3900000000008 Ų

氢键供体/受体

48 / 68

复杂度

6300