basic_info |
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| Product_Name: | 美拉加群 |
| CAS: | 162694-63-5 ;159776-70-2 |
| 中文同义词: | 美拉加群 |
| EnglishSynonyms: | H-319/68 ; MELAGATRAN ; N-[(1R)-2-[(2S)-2-[[[[4-(AMINOIMINOMETHYL)PHENYL]METHYL]AMINO]CARBONYL]-1-AZETIDINYL]-1-CYCLOHEXYL-2-OXOETHYL]GLYCINE |
| pro_mdlNumber: | MFCD00945676 |
| pro_acceptors: | 9 |
| pro_donors: | 5 |
| pro_smile: | c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N |
| InChi: | InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 |
| InChiKey: | InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N |
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