基本信息 |
|
| 产品名称： | BAK BH3 (69-93) |
| 英文同义词： | STMGQVGRQLAIIGDDINRRYDSEF ; H-SER-THR-MET-GLY-GLN-VAL-GLY-ARG-GLN-LEU-ALA-ILE-ILE-GLY-ASP-ASP-ILE-ASN-ARG-ARG-TYR-ASP-SER-GLU-PHE-OH ; BAK BH3 (69-93) |
| MDL号： | MFCD11113602 |
| 氢键受体数量： | 78 |
| 氢键供体数量： | 46 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C120H193N37O41S/c1-14-57(8)92(156-115(195)94(59(10)16-3)154-96(176)60(11)137-105(185)73(43-55(4)5)146-102(182)70(33-36-82(123)163)143-99(179)66(25-20-39-131-118(125)126)138-85(166)51-135-112(192)91(56(6)7)153-104(184)69(32-35-81(122)162)139-84(165)50-134-98(178)72(38-42-199-13)145-116(196)95(61(12)160)157-97(177)65(121)53-158)113(193)136-52-86(167)140-76(47-88(170)171)108(188)149-78(49-90(174)175)110(190)155-93(58(9)15-2)114(194)150-75(46-83(124)164)107(187)142-67(26-21-40-132-119(127)128)100(180)141-68(27-22-41-133-120(129)130)101(181)147-74(44-63-28-30-64(161)31-29-63)106(186)148-77(48-89(172)173)109(189)152-80(54-159)111(191)144-71(34-37-87(168)169)103(183)151-79(117(197)198)45-62-23-18-17-19-24-62/h17-19,23-24,28-31,55-61,65-80,91-95,158-161H,14-16,20-22,25-27,32-54,121H2,1-13H3,(H2,122,162)(H2,123,163)(H2,124,164)(H,134,178)(H,135,192)(H,136,193)(H,137,185)(H,138,166)(H,139,165)(H,140,167)(H,141,180)(H,142,187)(H,143,179)(H,144,191)(H,145,196)(H,146,182)(H,147,181)(H,148,186)(H,149,188)(H,150,194)(H,151,183)(H,152,189)(H,153,184)(H,154,176)(H,155,190)(H,156,195)(H,157,177)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,197,198)(H4,125,126,131)(H4,127,128,132)(H4,129,130,133)/t57-,58-,59-,60-,61+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,79-,80-,91-,92-,93-,94-,95-/m0/s1 |
| InChiKey： | InChIKey=XUORSOHANXVZEB-FENKDSGTSA-N |
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