basic_info |
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| Product_Name: | BIOTINYL-ASP(OME)-GLU(OME)-VAL-ASP(OME)-FLUOROMETHYLKETONE |
| EnglishSynonyms: | BIOTINYL-D(OME)E(OME)VD(OME)-FMK ; BIOTINYL-D(OME)E(OME)VD(OME)-FLUOROMETHYLKETONE ; BIOTINYL-ASP(OME)-GLU(OME)-VAL-ASP(OME)-FLUOROMETHYLKETONE |
| pro_mdlNumber: | MFCD06799435 |
| pro_acceptors: | 18 |
| pro_donors: | 6 |
| pro_smile: | CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(=O)OC)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| InChi: | InChI=1S/C32H49FN6O12S/c1-16(2)27(31(47)36-18(21(40)14-33)12-25(43)50-4)38-29(45)17(10-11-24(42)49-3)35-30(46)19(13-26(44)51-5)34-23(41)9-7-6-8-22-28-20(15-52-22)37-32(48)39-28/h16-20,22,27-28H,6-15H2,1-5H3,(H,34,41)(H,35,46)(H,36,47)(H,38,45)(H2,37,39,48)/t17-,18-,19-,20-,22-,27-,28-/m0/s1 |
| InChiKey: | InChIKey=PXQGWEKDVIRAGM-DNIKLLLLSA-N |
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