吖丁并[1,2:1,2]吡咯并[3,4-c]吡啶 (9CI) ,137734-88-4 _ChemCD

吖丁并[1,2:1,2]吡咯并[3,4-c]吡啶 (9CI)

basic_info
Product_Name：	吖丁并[1,2:1,2]吡咯并[3,4-c]吡啶 (9CI)
CAS：	137734-88-4
中文同义词：	吖丁并[1,2:1,2]吡咯并[3,4-c]吡啶 (9CI)
EnglishSynonyms：	[D-PHE1,LEU8,9]LITORIN-NH2 ; BIM 187
pro_mdlNumber：	MFCD09753288
pro_acceptors：	24
pro_donors：	13
pro_smile：	CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc4ccccc4)N
InChi：	InChI=1S/C53H76N14O10/c1-28(2)19-39(46(56)70)64-51(75)40(20-29(3)4)65-52(76)42(23-34-25-57-27-60-34)62-44(69)26-59-53(77)45(30(5)6)67-47(71)31(7)61-50(74)41(22-33-24-58-37-16-12-11-15-35(33)37)66-49(73)38(17-18-43(55)68)63-48(72)36(54)21-32-13-9-8-10-14-32/h8-16,24-25,27-31,36,38-42,45,58H,17-23,26,54H2,1-7H3,(H2,55,68)(H2,56,70)(H,57,60)(H,59,77)(H,61,74)(H,62,69)(H,63,72)(H,64,75)(H,65,76)(H,66,73)(H,67,71)/t31-,36+,38-,39-,40-,41-,42-,45-/m0/s1
InChiKey：	InChIKey=HLAREJIMNCKKSS-XJZCOZNDSA-N

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