N-[1-[5-[(7R,14R)-1-(difluoromethoxy)-5,6,7,14-tetrahydro-5-oxo-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl]-1-methylethyl]carbamic acid tert-butyl ester
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Basic information
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Exact Mass | 576.22966 |
Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(NC2=O)C2=NC3C(=CC(C4C=NC(=NC=4)C(C)(C)NC(=O)OC(C)(C)C)=CC=3)N12)C(F)F |
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Canonical Smiles | CC(C)(C)OC(=O)NC(C)(C)C1N=CC(=CN=1)C1C=C2C(=CC=1)N=C1[C@H]3C[C@H](C4=C(C=CC=C4C(=O)N3)OC(F)F)N12 |
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Inchi | InChI=1S/C30H30F2N6O4/c1-29(2,3)42-28(40)37-30(4,5)26-33-13-16(14-34-26)15-9-10-18-20(11-15)38-21-12-19(24(38)35-18)36-25(39)17-7-6-8-22(23(17)21)41-27(31)32/h6-11,13-14,19,21,27H,12H2,1-5H3,(H,36,39)(H,37,40)/t19-,21-/m1/s1 |
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InchiKey | ZYAIFGDAHYJTRQ-TZIWHRDSSA-N |
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