basic_info |
|
| Product_Name： | ACET |
| EnglishSynonyms： | ACET |
| pro_mdlNumber： | MFCD11519953 |
| pro_acceptors： | 9 |
| pro_donors： | 3 |
| pro_smile： | Cc1cn(c(=O)n(c1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N |
| InChi： | InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1 |
| InChiKey： | InChIKey=LCZDCKMQSBGXAH-AWEZNQCLSA-N |
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