basic_info |
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| Product_Name: | TERT-BUTYL 5,5'-(2S,2'S)-2,2'-(4,4'-(BIPHENYL-4,4'-DIYL)BIS(1H-IMIDAZOLE-4,2-DIYL))BIS(PYRROLIDINE-2,1-DIYL)BIS(OXOMETHYLENE)BIS(1-METHYL-1H-PYRROLE-5,3-DIYL)DICARBAMATE |
| EnglishSynonyms: | TERT-BUTYL 5,5'-(2S,2'S)-2,2'-(4,4'-(BIPHENYL-4,4'-DIYL)BIS(1H-IMIDAZOLE-4,2-DIYL))BIS(PYRROLIDINE-2,1-DIYL)BIS(OXOMETHYLENE)BIS(1-METHYL-1H-PYRROLE-5,3-DIYL)DICARBAMATE |
| pro_mdlNumber: | MFCD19053204 |
| pro_acceptors: | 16 |
| pro_donors: | 4 |
| pro_smile: | CC(C)(C)OC(=O)Nc1cc(n(c1)C)C(=O)N2CCC[C@H]2c3[nH]cc(n3)c4ccc(cc4)c5ccc(cc5)c6c[nH]c(n6)[C@@H]7CCCN7C(=O)c8cc(cn8C)NC(=O)OC(C)(C)C |
| InChi: | InChI=1S/C48H56N10O6/c1-47(2,3)63-45(61)51-33-23-39(55(7)27-33)43(59)57-21-9-11-37(57)41-49-25-35(53-41)31-17-13-29(14-18-31)30-15-19-32(20-16-30)36-26-50-42(54-36)38-12-10-22-58(38)44(60)40-24-34(28-56(40)8)52-46(62)64-48(4,5)6/h13-20,23-28,37-38H,9-12,21-22H2,1-8H3,(H,49,53)(H,50,54)(H,51,61)(H,52,62)/t37-,38-/m0/s1 |
| InChiKey: | InChIKey=XDVAFZPRSYWYPP-UWXQCODUSA-N |
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