基本信息 |
|
| 产品名称： | PEP-1 |
| 英文同义词： | KETWWETWWTEWSQPKKKRKV ; (LYS)(GLU)(THR)(TRP)(TRP)(GLU)(THR)(TRP)(TRP)(THR)(GLU)(TRP)(SER)(GLN)(PRO)(LYS)(LYS)(LYS)(ARG)(LYS)(VAL) ; PEP-1 |
| MDL号： | MFCD08459564 |
| 氢键受体数量： | 68 |
| 氢键供体数量： | 42 |
| Smile： | CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc8c[nH]c9c8cccc9)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N |
| InChi： | InChI=1S/C136H195N35O33/c1-71(2)111(135(203)204)167-121(189)94(42-20-25-57-141)155-119(187)95(43-26-58-146-136(144)145)156-117(185)92(40-18-23-55-139)153-116(184)91(39-17-22-54-138)154-118(186)93(41-19-24-56-140)158-130(198)106-44-27-59-171(106)134(202)99(45-49-107(143)176)160-129(197)105(70-172)166-127(195)101(61-76-66-148-87-35-12-7-29-81(76)87)161-120(188)96(46-50-108(177)178)159-131(199)112(72(3)173)170-128(196)104(64-79-69-151-90-38-15-10-32-84(79)90)163-126(194)103(63-78-68-150-89-37-14-9-31-83(78)89)165-133(201)114(74(5)175)169-123(191)98(48-52-110(181)182)157-124(192)100(60-75-65-147-86-34-11-6-28-80(75)86)162-125(193)102(62-77-67-149-88-36-13-8-30-82(77)88)164-132(200)113(73(4)174)168-122(190)97(47-51-109(179)180)152-115(183)85(142)33-16-21-53-137/h6-15,28-32,34-38,65-69,71-74,85,91-106,111-114,147-151,172-175H,16-27,33,39-64,70,137-142H2,1-5H3,(H2,143,176)(H,152,183)(H,153,184)(H,154,186)(H,155,187)(H,156,185)(H,157,192)(H,158,198)(H,159,199)(H,160,197)(H,161,188)(H,162,193)(H,163,194)(H,164,200)(H,165,201)(H,166,195)(H,167,189)(H,168,190)(H,169,191)(H,170,196)(H,177,178)(H,179,180)(H,181,182)(H,203,204)(H4,144,145,146)/t72-,73-,74-,85+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,111+,112+,113+,114+/m1/s1 |
| InChiKey： | InChIKey=USGGLBHJJYVLEN-WEYOJKFFSA-N |
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