基本信息 |
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| 产品名称： | BIOT-THR-ARG-LYS-ARG-GLN-ARG-SER-MET-ARG-ARG-ARG-VAL-HIS-GLN-ILE-ASN-GLY TRIFLUOROACETATE SALT |
| 英文同义词： | PROTEIN KINASE CETA SUBSTRATE, BIOTINYLATED TRIFLUOROACETATE SALT ; BIOT-THR-ARG-LYS-ARG-GLN-ARG-SER-MET-ARG-ARG-ARG-VAL-HIS-GLN-ILE-ASN-GLY TRIFLUOROACETATE SALT |
| MDL号： | MFCD03787997 |
| 氢键受体数量： | 68 |
| 氢键供体数量： | 45 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C97H173N43O25S2.C2HF3O2/c1-7-48(4)72(89(163)134-62(41-68(101)145)75(149)121-43-70(147)148)139-85(159)59(28-30-67(100)144)130-86(160)61(40-50-42-114-46-122-50)133-88(162)71(47(2)3)138-84(158)57(24-17-38-120-96(112)113)128-78(152)52(19-12-33-115-91(102)103)125-77(151)53(20-13-34-116-92(104)105)127-83(157)60(31-39-166-6)131-87(161)63(44-141)135-81(155)55(22-15-36-118-94(108)109)126-82(156)58(27-29-66(99)143)129-79(153)54(21-14-35-117-93(106)107)124-76(150)51(18-10-11-32-98)123-80(154)56(23-16-37-119-95(110)111)132-90(164)73(49(5)142)137-69(146)26-9-8-25-65-74-64(45-167-65)136-97(165)140-74;3-2(4,5)1(6)7/h42,46-49,51-65,71-74,141-142H,7-41,43-45,98H2,1-6H3,(H2,99,143)(H2,100,144)(H2,101,145)(H,114,122)(H,121,149)(H,123,154)(H,124,150)(H,125,151)(H,126,156)(H,127,157)(H,128,152)(H,129,153)(H,130,160)(H,131,161)(H,132,164)(H,133,162)(H,134,163)(H,135,155)(H,137,146)(H,138,158)(H,139,159)(H,147,148)(H4,102,103,115)(H4,104,105,116)(H4,106,107,117)(H4,108,109,118)(H4,110,111,119)(H4,112,113,120)(H2,136,140,165);(H,6,7)/t48-,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-,74-;/m0./s1 |
| InChiKey： | InChIKey=OKCFBZMGPNOIRN-PPXLCOOESA-N |
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