basic_info |
|
| Product_Name： | P1PAL-19 |
| EnglishSynonyms： | P1PAL-19 ; PALRCLSSSAVANRSKKSRALF-NH2 |
| pro_mdlNumber： | MFCD18252114 |
| pro_acceptors： | 63 |
| pro_donors： | 40 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NC(CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2 |
| InChi： | InChI=1S/C101H177N35O28S/c1-49(2)38-65(126-78(144)53(9)116-82(148)58-28-20-34-112-58)88(154)121-63(31-23-37-115-101(110)111)87(153)135-74(48-165)97(163)129-67(40-51(5)6)90(156)132-72(46-140)95(161)134-73(47-141)96(162)133-69(43-137)92(158)118-56(12)81(147)136-76(52(7)8)98(164)119-55(11)80(146)128-68(42-75(104)142)91(157)122-62(30-22-36-114-100(108)109)86(152)131-70(44-138)93(159)123-59(26-16-18-32-102)84(150)120-60(27-17-19-33-103)85(151)130-71(45-139)94(160)124-61(29-21-35-113-99(106)107)83(149)117-54(10)79(145)127-66(39-50(3)4)89(155)125-64(77(105)143)41-57-24-14-13-15-25-57/h13-15,24-25,49-56,58-74,76,112,137-141,165H,16-23,26-48,102-103H2,1-12H3,(H2,104,142)(H2,105,143)(H,116,148)(H,117,149)(H,118,158)(H,119,164)(H,120,150)(H,121,154)(H,122,157)(H,123,159)(H,124,160)(H,125,155)(H,126,144)(H,127,145)(H,128,146)(H,129,163)(H,130,151)(H,131,152)(H,132,156)(H,133,162)(H,134,161)(H,135,153)(H,136,147)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t53-,54-,55-,56-,58-,59?,60-,61-,62-,63-,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m0/s1 |
| InChiKey： | InChIKey=RPEUWWPPIRLUMN-CEYOIUATSA-N |
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