basic_info |
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| Product_Name： | LEUPEPTIN HEMISULFATE MONOHYDRATE |
| CAS： | 55123-66-5 |
| EnglishSynonyms： | LEUPEPTIN HEMISULFATE MONOHYDRATE ; LEUPEPTIN |
| pro_mdlNumber： | MFCD00198027 |
| pro_acceptors： | 10 |
| pro_donors： | 6 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.O.O.OS(=O)(=O)O |
| InChi： | InChI=1S/2C20H38N6O4.H2O4S.2H2O/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4;;/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4);2*1H2/t2*15-,16-,17-;;;/m00.../s1 |
| InChiKey： | InChIKey=FWGRMOYQEJXKOZ-XZZFGKIVSA-N |
property |
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| Comments： | SPECIFIC ROTATION: -82 +/- 6 DEG (C=2 IN H2O, 20 DEG C) |
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