基本信息 |
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| 产品名称： | CELL PERMEABLE CASPASE 4 INHIBITOR |
| 英文同义词： | ACETYL-ALA-ALA-VAL-ALA-LEU-LEU-PRO-ALA-VAL-LEU-LEU-ALA-LEU-LEU-ALA-PRO-LEU-GLU-VAL-ASP-ALDEHYDE ; AC-ALA-ALA-VAL-ALA-LEU-LEU-PRO-ALA-VAL-LEU-LEU-ALA-LEU-LEU-ALA-PRO-LEU-GLU-VAL-ASP-AL ; CELL PERMEABLE CASPASE 4 INHIBITOR |
| MDL号： | MFCD17215320 |
| 氢键受体数量： | 45 |
| 氢键供体数量： | 20 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C |
| InChi： | InChI=1S/C96H164N20O25/c1-45(2)36-64(84(129)99-56(22)79(124)105-66(38-47(5)6)87(132)108-65(37-46(3)4)85(130)102-60(26)95(140)115-34-28-31-72(115)91(136)109-68(40-49(9)10)86(131)104-63(32-33-73(119)120)83(128)114-76(53(17)18)93(138)103-62(44-117)43-74(121)122)107-88(133)69(41-50(11)12)110-94(139)77(54(19)20)113-82(127)59(25)100-90(135)71-30-29-35-116(71)96(141)70(42-51(13)14)111-89(134)67(39-48(7)8)106-80(125)57(23)101-92(137)75(52(15)16)112-81(126)58(24)98-78(123)55(21)97-61(27)118/h44-60,62-72,75-77H,28-43H2,1-27H3,(H,97,118)(H,98,123)(H,99,129)(H,100,135)(H,101,137)(H,102,130)(H,103,138)(H,104,131)(H,105,124)(H,106,125)(H,107,133)(H,108,132)(H,109,136)(H,110,139)(H,111,134)(H,112,126)(H,113,127)(H,114,128)(H,119,120)(H,121,122)/t55-,56-,57-,58-,59-,60-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,75-,76-,77-/m0/s1 |
| InChiKey： | InChIKey=NBDXLHCJYZCDBW-YRDRNFIBSA-N |
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