基本信息 |
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产品名称: | MCA-(ALA7,LYS(DNP)9)-BRADYKININ TRIFLUOROACETATE SALT |
英文同义词: | MCA-(ALA7,LYS(DNP)9)-BRADYKININ TRIFLUOROACETATE SALT ; MCA-ARG-PRO-PRO-GLY-PHE-SER-ALA-PHE-LYS(DNP)-OH TRIFLUOROACETATE SALT |
MDL号: | MFCD18782552 |
氢键受体数量: | 34 |
氢键供体数量: | 13 |
Smile: | C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)Cc6cc(=O)oc7c6ccc(c7)OC.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C66H81N15O19.C2HF3O2/c1-38(58(86)76-49(31-40-16-7-4-8-17-40)60(88)75-47(65(93)94)18-9-10-26-69-45-25-22-42(80(95)96)34-53(45)81(97)98)72-61(89)50(37-82)77-59(87)48(30-39-14-5-3-6-15-39)74-56(84)36-71-62(90)51-20-12-28-78(51)64(92)52-21-13-29-79(52)63(91)46(19-11-27-70-66(67)68)73-55(83)32-41-33-57(85)100-54-35-43(99-2)23-24-44(41)54;3-2(4,5)1(6)7/h3-8,14-17,22-25,33-35,38,46-52,69,82H,9-13,18-21,26-32,36-37H2,1-2H3,(H,71,90)(H,72,89)(H,73,83)(H,74,84)(H,75,88)(H,76,86)(H,77,87)(H,93,94)(H4,67,68,70);(H,6,7)/t38-,46-,47-,48-,49-,50-,51-,52-;/m0./s1 |
InChiKey: | InChIKey=WJMOJCQQKNDEIM-WQPCJXPXSA-N |
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