basic_info |
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Product_Name: | ECHELON H-00BT |
EnglishSynonyms: | ECHELON H-00BT |
pro_mdlNumber: | MFCD19705467 |
pro_acceptors: | 24 |
pro_donors: | 9 |
pro_smile: | CCCCCCCCCCCCCCCC(=O)O[C@H](COP(=O)([O-])OCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)[C@@H](COP(=O)([O-])O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+] |
InChi: | InChI=1S/C60H112N4O20P2S.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-51(67)82-46(42-80-85(75,76)79-41-40-62-50(66)35-28-27-33-39-61-49(65)36-32-31-34-48-53-45(44-87-48)63-60(74)64-53)47(43-81-86(77,78)84-59-57(72)55(70)54(69)56(71)58(59)73)83-52(68)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h45-48,53-59,69-73H,3-44H2,1-2H3,(H,61,65)(H,62,66)(H,75,76)(H,77,78)(H2,63,64,74);;/q;2*+1/p-2/t45-,46+,47+,48-,53-,54-,55-,56+,57+,58+,59-;;/m0../s1 |
InChiKey: | InChIKey=OTEVXGXQAKDZDW-APBXCALOSA-L |
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