基本信息 |
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| 产品名称： | BIOT-SESCSIESDIYAEIPDETLRR-OH |
| 英文同义词： | BIOT-SESCSIESDIYAEIPDETLRR-OH ; CELL ADHESION KINASE BETA (392-412) BIOTINYL [HOMO SAPIENS]/[RATTUS NORVEGICUS]/ [MUS MUSCULUS] |
| MDL号： | MFCD08274243 |
| 氢键受体数量： | 71 |
| 氢键供体数量： | 41 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 |
| InChi： | InChI=1S/C110H175N29O42S2/c1-11-50(6)82(135-100(172)70(46-143)131-101(173)71(47-182)132-99(171)69(45-142)130-89(161)58(28-32-76(147)148)122-97(169)67(43-140)118-75(146)23-15-14-22-74-86-72(48-183-74)133-110(181)138-86)103(175)123-59(29-33-77(149)150)90(162)129-68(44-141)98(170)125-66(42-81(157)158)96(168)134-83(51(7)12-2)104(176)128-64(40-55-24-26-56(145)27-25-55)93(165)117-53(9)87(159)119-60(30-34-78(151)152)91(163)136-84(52(8)13-3)106(178)139-38-18-21-73(139)102(174)126-65(41-80(155)156)95(167)121-61(31-35-79(153)154)92(164)137-85(54(10)144)105(177)127-63(39-49(4)5)94(166)120-57(19-16-36-115-108(111)112)88(160)124-62(107(179)180)20-17-37-116-109(113)114/h24-27,49-54,57-74,82-86,140-145,182H,11-23,28-48H2,1-10H3,(H,117,165)(H,118,146)(H,119,159)(H,120,166)(H,121,167)(H,122,169)(H,123,175)(H,124,160)(H,125,170)(H,126,174)(H,127,177)(H,128,176)(H,129,162)(H,130,161)(H,131,173)(H,132,171)(H,134,168)(H,135,172)(H,136,163)(H,137,164)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,179,180)(H4,111,112,115)(H4,113,114,116)(H2,133,138,181)/t50-,51-,52-,53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-,86-/m0/s1 |
| InChiKey： | InChIKey=RUHIDZOSVDYHBZ-XVLGXJGRSA-N |
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