基本信息 |
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| 产品名称： | BIOT-QQKIRKYTMRRLLQE-AMIDE |
| 英文同义词： | RECEPTOR PROTEIN TYROSINE KINASE ERBB-2 PRECURSOR FRAGMENT (679-693) BIOTINYL/AMIDE [HOMO SAPIENS] ; BIOT-QQKIRKYTMRRLLQE-AMIDE |
| MDL号： | MFCD08274148 |
| 氢键受体数量： | 56 |
| 氢键供体数量： | 35 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 |
| InChi： | InChI=1S/C96H166N32O24S2/c1-9-51(6)75(126-87(146)57(20-13-15-40-98)115-85(144)63(32-36-72(101)133)118-83(142)61(30-34-70(99)131)112-73(134)25-11-10-24-69-77-68(48-154-69)125-96(152)128-77)91(150)120-60(23-18-43-111-95(107)108)80(139)114-56(19-12-14-39-97)81(140)124-67(47-53-26-28-54(130)29-27-53)90(149)127-76(52(7)129)92(151)121-64(38-44-153-8)86(145)117-58(21-16-41-109-93(103)104)79(138)116-59(22-17-42-110-94(105)106)82(141)122-66(46-50(4)5)89(148)123-65(45-49(2)3)88(147)119-62(31-35-71(100)132)84(143)113-55(78(102)137)33-37-74(135)136/h26-29,49-52,55-69,75-77,129-130H,9-25,30-48,97-98H2,1-8H3,(H2,99,131)(H2,100,132)(H2,101,133)(H2,102,137)(H,112,134)(H,113,143)(H,114,139)(H,115,144)(H,116,138)(H,117,145)(H,118,142)(H,119,147)(H,120,150)(H,121,151)(H,122,141)(H,123,148)(H,124,140)(H,126,146)(H,127,149)(H,135,136)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)(H2,125,128,152)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/m0/s1 |
| InChiKey： | InChIKey=NIUFUUMNNVJHCC-VYDLBOBKSA-N |
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