Basic Information |
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| Product Name： | N L Y I Q W L K D G G P S S G R P P P S |
| English Synonyms： | N L Y I Q W L K D G G P S S G R P P P S ; TRP CAGE |
| MDL Number.： | MFCD22125330 |
| H bond acceptor： | 56 |
| H bond donor： | 29 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N |
| InChi： | InChI=1S/C98H149N27O29/c1-7-52(6)80(121-89(145)64(39-53-25-27-55(129)28-26-53)115-87(143)62(37-50(2)3)113-81(137)57(100)41-75(102)131)93(149)112-60(29-30-74(101)130)85(141)116-65(40-54-43-106-58-18-9-8-17-56(54)58)88(144)114-63(38-51(4)5)86(142)111-59(19-10-11-31-99)84(140)117-66(42-79(135)136)82(138)108-44-76(132)107-46-78(134)122-33-13-21-70(122)91(147)119-68(48-127)90(146)118-67(47-126)83(139)109-45-77(133)110-61(20-12-32-105-98(103)104)94(150)124-35-15-23-72(124)96(152)125-36-16-24-73(125)95(151)123-34-14-22-71(123)92(148)120-69(49-128)97(153)154/h8-9,17-18,25-28,43,50-52,57,59-73,80,106,126-129H,7,10-16,19-24,29-42,44-49,99-100H2,1-6H3,(H2,101,130)(H2,102,131)(H,107,132)(H,108,138)(H,109,139)(H,110,133)(H,111,142)(H,112,149)(H,113,137)(H,114,144)(H,115,143)(H,116,141)(H,117,140)(H,118,146)(H,119,147)(H,120,148)(H,121,145)(H,135,136)(H,153,154)(H4,103,104,105)/t52-,57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,80-/m0/s1 |
| InChiKey： | InChIKey=FJDCJNOQBPNEAI-ORXQPBHQSA-N |
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