基本信息 |
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产品名称: | NAPAVIN |
CAS: | 126443-96-7 |
英文同义词: | NAPAVIN |
MDL号: | MFCD09837661 |
氢键受体数量: | 19 |
氢键供体数量: | 7 |
Smile: | CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)NCCNc1ccc(cc1[N+](=O)[O-])N=[N+]=[N-])O)O)CC)C(=O)OC)O |
InChi: | InChI=1S/C50H60N10O9/c1-5-46(64)25-29-26-49(45(63)69-4,40-32(14-20-58(27-29)28-46)31-10-7-8-11-35(31)54-40)34-23-33-37(24-39(34)68-3)55-41-48(33)16-21-59-19-9-15-47(6-2,42(48)59)43(61)50(41,65)44(62)53-18-17-52-36-13-12-30(56-57-51)22-38(36)60(66)67/h7-13,15,22-24,29,41-43,52,54-55,61,64-65H,5-6,14,16-21,25-28H2,1-4H3,(H,53,62)/t29-,41+,42-,43+,46-,47+,48-,49-,50-/m0/s1 |
InChiKey: | InChIKey=BVUTXJULGDNWNV-RUQJKGHNSA-N |
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