(7R,14R)-11-[6-[cis-1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-fluoropyridin-3-yl]-1-(difluoromethoxy)-6,7-dihydro-6-methyl-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-5(14H)--one formate
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Basic information
| GHS | |
|---|---|
| Exact Mass | 649.17599 |
| Smiles | C(=O)O.O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(N(C2=O)C)C2=NC3C(=CC(C4C=C(C([C@]5(C[C@@](O)(C(F)(F)F)C5)N)=NC=4)F)=CC=3)N12)C(F)F |
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| Canonical Smiles | CN1[C@@H]2C[C@H](C3=C(C=CC=C3C1=O)OC(F)F)N1C2=NC2=CC=C(C=C12)C1C=C(F)C(=NC=1)[C@]1(N)C[C@@](O)(C1)C(F)(F)F.OC=O |
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| Inchi | InChI=1S/C29H23F6N5O3.CH2O2/c1-39-20-9-19(22-15(25(39)41)3-2-4-21(22)43-26(31)32)40-18-8-13(5-6-17(18)38-24(20)40)14-7-16(30)23(37-10-14)27(36)11-28(42,12-27)29(33,34)35;2-1-3/h2-8,10,19-20,26,42H,9,11-12,36H2,1H3;1H,(H,2,3)/t19-,20-,27-,28+;/m1./s1 |
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| InchiKey | UNUDRNQZKBNHJX-GZUUDIJESA-N |
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