基本信息 |
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产品名称: | PENIMEPICYCLINE |
CAS: | 4599-60-4 |
英文同义词: | MEPICYCLINE PHENOXYMETHYLPENICILLINATE ; PENIMEPICYCLINE |
MDL号: | MFCD00083461 |
氢键受体数量: | 13 |
氢键供体数量: | 7 |
Smile: | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C.C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](CC31)[C@@H](C(=C(C4=O)C(=O)NCN5CCN(CC5)CCO)O)N(C)C)O)O)O)O |
InChi: | InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16?,17-,22-,28+,29-;11-,12+,14-/m01/s1 |
InChiKey: | InChIKey=MEGKRPMNPGTIIG-FPAXJKHWSA-N |
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