basic_info |
|
| Product_Name: | PESTAHIVIN |
| CAS: | 165754-55-2 |
| EnglishSynonyms: | PESTAHIVIN |
| pro_mdlNumber: | MFCD09837759 |
| pro_acceptors: | 17 |
| pro_donors: | 3 |
| pro_smile: | CCCC[C@@H](C)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1)CCC#N)C)C)C[C@H](C)CCCC)Cc2cn(c3c2cccc3)OC)C)CC(C)C)CC(C)C)C |
| InChi: | InChI=1S/C53H84N8O9/c1-14-16-21-35(7)29-41-50(65)58(10)37(9)53(68)70-46(25-20-26-54)49(64)57-42(30-36(8)22-17-15-2)52(67)59(11)44(28-34(5)6)47(62)55-40(27-33(3)4)51(66)60(12)45(48(63)56-41)31-38-32-61(69-13)43-24-19-18-23-39(38)43/h18-19,23-24,32-37,40-42,44-46H,14-17,20-22,25,27-31H2,1-13H3,(H,55,62)(H,56,63)(H,57,64)/t35-,36-,37+,40+,41+,42+,44+,45+,46-/m1/s1 |
| InChiKey: | InChIKey=AUTCJYDBVLDXJU-DOXSKGAYSA-N |
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