trans-3-[5-[(7R,14R)-6-[(3,3-difluoro-cyclobutyl)methyl]-1-(difluoromethoxy)-5,6,7,14-tetrahydro-5-oxo-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl]-1-(fluoromethyl)-3-hydroxy-Cyclobutane-carbonitrile
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Basic information
| GHS | |
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| Exact Mass | 650.20648 |
| Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(N(C2=O)CC2CC(F)(F)C2)C2=NC3C(=CC(C4C=NC([C@]5(C[C@@](C#N)(CF)C5)O)=NC=4)=CC=3)N12)C(F)F |
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| Canonical Smiles | N#C[C@@]1(C[C@](O)(C1)C1=NC=C(C=N1)C1C=C2C(=CC=1)N=C1[C@H]3C[C@H](C4=C(C=CC=C4C(=O)N3CC3CC(F)(F)C3)OC(F)F)N21)CF |
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| Inchi | InChI=1S/C33H27F5N6O3/c34-15-31(16-39)13-32(46,14-31)29-40-10-19(11-41-29)18-4-5-21-22(6-18)44-23-7-24(27(44)42-21)43(12-17-8-33(37,38)9-17)28(45)20-2-1-3-25(26(20)23)47-30(35)36/h1-6,10-11,17,23-24,30,46H,7-9,12-15H2/t23-,24-,31-,32+/m1/s1 |
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| InchiKey | USLNKEXOYAKNOL-RTZFHNOTSA-N |
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