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      H-Glu[cyclo(-Arg-Gly-Asp-D-Phe-Lys)]-cyclo(-Arg-Gly-Asp-D-Phe-Lys) Trifluoroacetate

      共找到1家“H-Glu[cyclo(-Arg-Gly-Asp-D-Phe-Lys)]-cyclo(-Arg-Gly-Asp-D-Phe-Lys) Trifluoroacetate“產品

      名稱和標識符

      Inchi : 1S/C59H87N19O16.3C2HF3O2/c60-35(49(86)66-24-10-8-18-39-53(90)74-37(20-12-26-68-59(63)64)51(88)70-32-46(81)72-43(30-48(84)85)57(94)78-41(55(92)76-39)28-34-15-5-2-6-16-34)21-22-44(79)65-23-9-7-17-38-52(89)73-36(19-11-25-67-58(61)62)50(87)69-31-45(80)71-42(29-47(82)83)56(93)77-40(54(91)75-38)27-33-13-3-1-4-14-33;3*3-2(4,5)1(6)7/h1-6,13-16,35-43H,7-12,17-32,60H2,(H,65,79)(H,66,86)(H,69,87)(H,70,88)(H,71,80)(H,72,81)(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,82,83)(H,84,85)(H4,61,62,67)(H4,63,64,68);3*(H,6,7)/t35-,36-,37-,38-,39-,40+,41+,42-,43-;;;/m0.../s1

      InChIKey : BQWDIZULBDAHEB-KXECYNACSA-N

      SMILES : FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.O=C1[C@H](CCCCNC([C@H](CCC(NCCCC[C@H]2C(N[C@H](C(NCC(N[C@@H](CC(=O)O)C(N[C@H](CC3C=CC=CC=3)C(N2)=O)=O)=O)=O)CCC/N=C(\N)/N)=O)=O)N)=O)NC([C@@H](CC2C=CC=CC=2)NC([C@H](CC(=O)O)NC(CNC([C@H](CCC/N=C(\N)/N)N1)=O)=O)=O)=O

      英文別名
      • H-Glu[cyclo(-Arg-Gly-Asp-D-Phe-Lys)]-cyclo(-Arg-Gly-Asp-D-Phe-Lys) Trifluoroacetate
      物化性質
      計算特性

      氫鍵供體數量 : 22

      氫鍵受體數量 : 34

      重原子數量 : 115

      可旋轉化學鍵數量 : 30

      復雜度 : 2760

      拓撲分子極性表面積 : 691

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