basic_info |
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| Product_Name: | N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE |
| CAS: | 845972-20-5 |
| EnglishSynonyms: | N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE ; BENZAMIDE, N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(2R)-2-(METHOXYMETHYL)-1-PYRROLIDINYL]CARBONYL]-5-METHYL- |
| pro_mdlNumber: | MFCD16038866 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O |
| InChi: | InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1 |
| InChiKey: | InChIKey=KYHYNSQLYDXSNK-MXWGZHRFSA-N |
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