Basic Information |
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| Product Name： | BLOCKING PEPTIDE FOR PAB TO INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR (TYPE-1) |
| English Synonyms： | BLOCKING PEPTIDE FOR PAB TO INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR (TYPE-1) |
| MDL Number.： | MFCD01863801 |
| H bond acceptor： | 68 |
| H bond donor： | 40 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)N |
| InChi： | InChI=1S/C97H169N33O35/c1-48(2)75(129-86(155)60(29-31-69(133)134)122-88(157)63(44-72(139)140)126-90(159)64(45-73(141)142)125-84(153)57(25-10-16-38-103)119-81(150)56(24-9-15-37-102)117-79(148)54(22-7-13-35-100)115-77(146)51(104)42-68(105)132)93(162)127-65(46-74(143)144)89(158)120-59(27-18-40-111-97(108)109)85(154)124-62(43-71(137)138)87(156)113-50(4)94(163)130-41-19-28-67(130)92(161)128-66(47-131)91(160)121-58(26-17-39-110-96(106)107)82(151)118-55(23-8-14-36-101)80(149)116-52(20-5-11-33-98)78(147)112-49(3)76(145)114-53(21-6-12-34-99)83(152)123-61(95(164)165)30-32-70(135)136/h48-67,75,131H,5-47,98-104H2,1-4H3,(H2,105,132)(H,112,147)(H,113,156)(H,114,145)(H,115,146)(H,116,149)(H,117,148)(H,118,151)(H,119,150)(H,120,158)(H,121,160)(H,122,157)(H,123,152)(H,124,154)(H,125,153)(H,126,159)(H,127,162)(H,128,161)(H,129,155)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,164,165)(H4,106,107,110)(H4,108,109,111)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58?,59-,60-,61-,62-,63-,64-,65-,66?,67-,75-/m0/s1 |
| InChiKey： | InChIKey=INTVIITZMAEXLY-IXYLZLPBSA-N |
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