basic_info |
|
| Product_Name： | AC-AAVALLPAVLLALLAPYVAD-CHO |
| EnglishSynonyms： | AC-AAVALLPAVLLALLAPYVAD-CHO ; YVAD-CHO, CELL-PERMEABLE ; AC-ALA-ALA-VAL-ALA-LEU-LEU-PRO-ALA-VAL-LEU-LEU-ALA-LEU-LEU-ALA-PRO-TYR-VAL-ALA-ASP-CHO ; AC-AAVALLPAVLLALLAPYVAD-ALDEHYDE ; CASPASE-1 INHIBITOR (ALDEHYDE) ; ICE INHIBITOR I, CELL-PERMEABLE ; CASPASE-1 INHIBITOR I, CELL-PERMEABLE |
| pro_mdlNumber： | MFCD02258959 |
| pro_acceptors： | 42 |
| pro_donors： | 19 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C=O)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]3CCCN3C(=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/C94H155N19O23/c1-45(2)36-64(82(124)97-55(20)78(120)102-66(38-47(5)6)84(126)105-65(37-46(3)4)83(125)100-59(24)93(135)112-34-26-29-72(112)89(131)106-69(42-61-30-32-63(116)33-31-61)87(129)111-75(52(15)16)91(133)101-62(44-114)43-73(117)118)104-85(127)68(40-49(9)10)107-92(134)76(53(17)18)110-81(123)58(23)98-88(130)71-28-27-35-113(71)94(136)70(41-50(11)12)108-86(128)67(39-48(7)8)103-79(121)56(21)99-90(132)74(51(13)14)109-80(122)57(22)96-77(119)54(19)95-60(25)115/h30-33,44-59,62,64-72,74-76,116H,26-29,34-43H2,1-25H3,(H,95,115)(H,96,119)(H,97,124)(H,98,130)(H,99,132)(H,100,125)(H,101,133)(H,102,120)(H,103,121)(H,104,127)(H,105,126)(H,106,131)(H,107,134)(H,108,128)(H,109,122)(H,110,123)(H,111,129)(H,117,118)/t54-,55-,56-,57-,58-,59-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-/m0/s1 |
| InChiKey： | InChIKey=UEMMGRQGUTUAGK-MPEXLCMKSA-N |
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