basic_info |
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| Product_Name： | SIVMAC239 ENVELOPE-81 |
| EnglishSynonyms： | SIVMAC239 ENVELOPE-81 ; ILQRLSATLQRIREVLRTEL ; H-ILE-LEU-GLN-ARG-LEU-SER-ALA-THR-LEU-GLN-ARG-ILE-ARG-GLU-VAL-LEU-ARG-THR-GLU-LEU-OH |
| pro_mdlNumber： | MFCD03790850 |
| pro_acceptors： | 64 |
| pro_donors： | 40 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)N |
| InChi： | InChI=1S/C105H190N34O30/c1-20-54(15)77(108)96(163)131-68(43-49(5)6)91(158)126-63(30-34-73(106)143)85(152)122-59(26-22-38-117-102(109)110)84(151)130-67(42-48(3)4)94(161)135-72(47-140)95(162)121-56(17)82(149)138-80(57(18)141)100(167)133-70(45-51(9)10)93(160)127-64(31-35-74(107)144)86(153)123-61(28-24-40-119-104(113)114)88(155)137-79(55(16)21-2)98(165)128-60(27-23-39-118-103(111)112)83(150)125-66(33-37-76(147)148)90(157)136-78(53(13)14)97(164)132-69(44-50(7)8)92(159)124-62(29-25-41-120-105(115)116)89(156)139-81(58(19)142)99(166)129-65(32-36-75(145)146)87(154)134-71(101(168)169)46-52(11)12/h48-72,77-81,140-142H,20-47,108H2,1-19H3,(H2,106,143)(H2,107,144)(H,121,162)(H,122,152)(H,123,153)(H,124,159)(H,125,150)(H,126,158)(H,127,160)(H,128,165)(H,129,166)(H,130,151)(H,131,163)(H,132,164)(H,133,167)(H,134,154)(H,135,161)(H,136,157)(H,137,155)(H,138,149)(H,139,156)(H,145,146)(H,147,148)(H,168,169)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t54-,55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-/m0/s1 |
| InChiKey： | InChIKey=UBVYMGLXYKZZFO-YGHUGVGCSA-N |
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