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| Standard English name | |
|---|---|
| Cas No. | 1586816-13-8 |
| Alias | N-(9-((2R,3S,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-mercapto-3-((2-nitrobenzyl)oxy)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide |
| Canonical Smiles | CC(C)C(=O)NC1NC(=O)C2N=CN([C@@H]3O[C@H](COC(C4=CC=CC=C4)(C4=CC=C(C=C4)OC)C4=CC=C(C=C4)OC)[C@@H](S)[C@H]3OCC3=CC=CC=C3[N+]([O-])=O)C=2N=1 |
| MDL No. | |
| Exact Mass | 806.27340 |
| Smiles | S[C@@H]([C@H]([C@H](N1C=NC2=C1N=C(NC(C(C)C)=O)NC2=O)O3)OCC4=CC=CC=C4[N+]([O-])=O)[C@H]3COC(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7 |
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| Inchi | InChI=1S/C42H42N6O9S/c1-25(2)38(49)45-41-44-37-34(39(50)46-41)43-24-47(37)40-35(55-22-26-10-8-9-13-32(26)48(51)52)36(58)33(57-40)23-56-42(27-11-6-5-7-12-27,28-14-18-30(53-3)19-15-28)29-16-20-31(54-4)21-17-29/h5-21,24-25,33,35-36,40,58H,22-23H2,1-4H3,(H2,44,45,46,49,50)/t33-,35-,36-,40-/m1/s1 |
| InchiKey | OKXQXYTVBUZXLU-MUMPVVMASA-N |
| Remark |
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