basic_info |
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| Product_Name： | MET-LEU-THR-LYS-PHE-GLU-THR-LYS-SER-ALA-ARG-VAL-LYS-GLY-LEU-SER-PHE-HIS-PRO-LYS-ARG-PRO-TRP-ILE-LEU ACETATE SALT |
| CAS： | 144092-28-4 |
| EnglishSynonyms： | MET-LEU-THR-LYS-PHE-GLU-THR-LYS-SER-ALA-ARG-VAL-LYS-GLY-LEU-SER-PHE-HIS-PRO-LYS-ARG-PRO-TRP-ILE-LEU ACETATE SALT ; XENIN 25 ACETATE SALT |
| pro_mdlNumber： | MFCD12910452 |
| pro_acceptors： | 70 |
| pro_donors： | 41 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N.CC(=O)O |
| InChi： | InChI=1S/C139H224N38O32S.C2H4O2/c1-15-79(10)111(132(203)169-103(137(208)209)64-77(6)7)173-126(197)101(67-85-69-152-89-41-23-22-40-87(85)89)167-130(201)107-49-34-59-176(107)135(206)96(47-33-58-151-139(147)148)163-117(188)91(43-25-29-54-141)159-129(200)106-48-35-60-177(106)136(207)102(68-86-70-149-74-154-86)168-124(195)100(66-84-38-20-17-21-39-84)166-128(199)105(73-179)171-122(193)97(62-75(2)3)156-108(182)71-153-116(187)90(42-24-28-53-140)160-131(202)110(78(8)9)172-120(191)94(46-32-57-150-138(145)146)157-114(185)80(11)155-127(198)104(72-178)170-119(190)93(45-27-31-56-143)162-133(204)112(81(12)180)174-121(192)95(50-51-109(183)184)158-123(194)99(65-83-36-18-16-19-37-83)165-118(189)92(44-26-30-55-142)161-134(205)113(82(13)181)175-125(196)98(63-76(4)5)164-115(186)88(144)52-61-210-14;1-2(3)4/h16-23,36-41,69-70,74-82,88,90-107,110-113,152,178-181H,15,24-35,42-68,71-73,140-144H2,1-14H3,(H,149,154)(H,153,187)(H,155,198)(H,156,182)(H,157,185)(H,158,194)(H,159,200)(H,160,202)(H,161,205)(H,162,204)(H,163,188)(H,164,186)(H,165,189)(H,166,199)(H,167,201)(H,168,195)(H,169,203)(H,170,190)(H,171,193)(H,172,191)(H,173,197)(H,174,192)(H,175,196)(H,183,184)(H,208,209)(H4,145,146,150)(H4,147,148,151);1H3,(H,3,4)/t79-,80-,81+,82+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-,113-;/m0./s1 |
| InChiKey： | InChIKey=RZITYMYGJDRACU-OQVOPOPSSA-N |
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