basic_info |
|
| Product_Name： | SIVMAC239 ENVELOPE-74 |
| EnglishSynonyms： | SIVMAC239 ENVELOPE-74 ; H-TYR-PHE-GLN-GLN-THR-HIS-ILE-GLN-GLN-ASP-PRO-ALA-LEU-PRO-THR-ARG-GLU-GLY-LYS-GLU-OH ; YFQQTHIQQDPALPTREGKE |
| pro_mdlNumber： | MFCD03790843 |
| pro_acceptors： | 64 |
| pro_donors： | 34 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccc(cc5)O)N |
| InChi： | InChI=1S/C105H160N30O34/c1-8-52(4)83(131-96(160)70(46-58-48-114-50-117-58)128-101(165)84(54(6)136)132-94(158)67(30-36-78(111)142)122-91(155)64(27-33-75(108)139)123-95(159)69(45-56-17-10-9-11-18-56)127-87(151)60(107)44-57-23-25-59(138)26-24-57)99(163)125-66(29-35-77(110)141)92(156)121-65(28-34-76(109)140)93(157)130-72(47-82(148)149)103(167)134-41-15-21-73(134)97(161)118-53(5)86(150)129-71(43-51(2)3)102(166)135-42-16-22-74(135)98(162)133-85(55(7)137)100(164)124-62(20-14-40-115-105(112)113)90(154)120-63(31-37-80(144)145)88(152)116-49-79(143)119-61(19-12-13-39-106)89(153)126-68(104(168)169)32-38-81(146)147/h9-11,17-18,23-26,48,50-55,60-74,83-85,136-138H,8,12-16,19-22,27-47,49,106-107H2,1-7H3,(H2,108,139)(H2,109,140)(H2,110,141)(H2,111,142)(H,114,117)(H,116,152)(H,118,161)(H,119,143)(H,120,154)(H,121,156)(H,122,155)(H,123,159)(H,124,164)(H,125,163)(H,126,153)(H,127,151)(H,128,165)(H,129,150)(H,130,157)(H,131,160)(H,132,158)(H,133,162)(H,144,145)(H,146,147)(H,148,149)(H,168,169)(H4,112,113,115)/t52-,53-,54+,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,83-,84-,85-/m0/s1 |
| InChiKey： | InChIKey=IXPBAOBKXCDZCP-LOFNTHQGSA-N |
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