basic_info |
|
| Product_Name： | SIVMAC239 ENVELOPE-31 |
| EnglishSynonyms： | SIVMAC239 ENVELOPE-31 ; LNKYYNLTMKCRRPGNKTVL ; H-LEU-ASN-LYS-TYR-TYR-ASN-LEU-THR-MET-LYS-CYS-ARG-ARG-PRO-GLY-ASN-LYS-THR-VAL-LEU-OH |
| pro_mdlNumber： | MFCD03790800 |
| pro_acceptors： | 60 |
| pro_donors： | 36 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N |
| InChi： | InChI=1S/C106H178N32O28S2/c1-53(2)43-63(110)86(147)128-74(49-80(112)144)95(156)123-64(21-12-15-36-107)88(149)130-71(46-59-27-31-61(141)32-28-59)92(153)131-72(47-60-29-33-62(142)34-30-60)93(154)132-75(50-81(113)145)96(157)129-70(44-54(3)4)97(158)137-84(57(9)139)101(162)126-68(35-42-168-11)90(151)122-65(22-13-16-37-108)89(150)134-77(52-167)98(159)125-67(24-18-39-118-105(114)115)87(148)127-69(25-19-40-119-106(116)117)103(164)138-41-20-26-78(138)99(160)120-51-82(146)121-73(48-79(111)143)94(155)124-66(23-14-17-38-109)91(152)136-85(58(10)140)102(163)135-83(56(7)8)100(161)133-76(104(165)166)45-55(5)6/h27-34,53-58,63-78,83-85,139-142,167H,12-26,35-52,107-110H2,1-11H3,(H2,111,143)(H2,112,144)(H2,113,145)(H,120,160)(H,121,146)(H,122,151)(H,123,156)(H,124,155)(H,125,159)(H,126,162)(H,127,148)(H,128,147)(H,129,157)(H,130,149)(H,131,153)(H,132,154)(H,133,161)(H,134,150)(H,135,163)(H,136,152)(H,137,158)(H,165,166)(H4,114,115,118)(H4,116,117,119)/t57-,58-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,83+,84+,85+/m1/s1 |
| InChiKey： | InChIKey=RMQOKZARHBERKW-IFBCMODWSA-N |
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