basic_info |
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| Product_Name： | POLYMYXIN B NONAPEPTIDE HYDROCHLORIDE |
| CAS： | 86408-36-8 |
| EnglishSynonyms： | PMBN HYDROCHLORIDE ; POLYMYXIN B NONAPEPTIDE HYDROCHLORIDE |
| pro_mdlNumber： | MFCD00214217 |
| pro_acceptors： | 29 |
| pro_donors： | 18 |
| pro_smile： | CCC(C)CCCCC(=O)NCC[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O)N.CC(C)CCCCC(=O)NCC[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O)N |
| InChi： | InChI=1S/C56H98N16O13.C55H96N16O13/c1-7-32(4)13-11-12-16-44(75)62-27-21-36(61)47(76)71-46(34(6)74)56(85)68-39(19-25-59)49(78)67-41-22-28-63-55(84)45(33(5)73)72-52(81)40(20-26-60)65-48(77)37(17-23-57)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-50(79)38(18-24-58)64-51(41)80;1-30(2)12-10-11-15-43(74)61-26-20-35(60)46(75)70-45(33(6)73)55(84)67-38(18-24-58)48(77)66-40-21-27-62-54(83)44(32(5)72)71-51(80)39(19-25-59)64-47(76)36(16-22-56)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-49(78)37(17-23-57)63-50(40)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,75)(H,63,84)(H,64,80)(H,65,77)(H,66,82)(H,67,78)(H,68,85)(H,69,83)(H,70,79)(H,71,76)(H,72,81);7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,74)(H,62,83)(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,84)(H,68,82)(H,69,78)(H,70,75)(H,71,80)/t32?,33-,34-,36+,37+,38+,39+,40+,41+,42+,43-,45+,46+;32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m11/s1 |
| InChiKey： | InChIKey=JEFXXLDLZSNPCI-ZXENPJNOSA-N |
property |
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secure_info |
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| secure_wgk_germany： | 3 |
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