trans-3-[5-[(7R,14R)-4-chloro-1-(difluoromethoxy)-6-[(1-fluoro-cyclopropyl)methyl]-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 | 652.16128 |
| Smiles | O(C1C=CC(Cl)=C2C=1[C@@]1([H])C[C@@]([H])(N(C2=O)CC2(CC2)F)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)C1N=CC(=CN=1)C1C=C2C(=CC=1)N=C1[C@H]3C[C@H](C4C(C(=O)N3CC3(F)CC3)=C(Cl)C=CC=4OC(F)F)N21)CF |
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| Inchi | InChI=1S/C32H25ClF4N6O3/c33-18-2-4-23(46-29(35)36)25-21-8-22(42(27(44)24(18)25)15-31(37)5-6-31)26-41-19-3-1-16(7-20(19)43(21)26)17-9-39-28(40-10-17)32(45)11-30(12-32,13-34)14-38/h1-4,7,9-10,21-22,29,45H,5-6,8,11-13,15H2/t21-,22-,30-,32+/m1/s1 |
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| InchiKey | XSMLRORKXXBMTO-AKUJFVAGSA-N |
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