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| Standard English name | |
|---|---|
| Cas No. | 1240043-91-7 |
| Alias | 6-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)-N-(2-((((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-((4-nitrobenzyl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)thio)ethyl)hexanamide |
| Canonical Smiles | [O-][N+](=O)C1C=CC(CNC2N=CN=C3C=2N=CN3[C@@H]2O[C@H](CSCCNC(=O)CCCCCNC(=S)NC3=CC4=C(C=C3)C3(OC4=O)C4C=CC(O)=CC=4OC4C=C(O)C=CC3=4)[C@@H](O)[C@H]2O)=CC=1 |
| MDL No. | |
| Exact Mass | 963.26800 |
| Smiles | O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)NCC3=CC=C([N+]([O-])=O)C=C3)O4)O)[C@H]4CSCCNC(CCCCCNC(NC5=CC6=C(C7(C8=C(OC9=C7C=CC(O)=C9)C=C(O)C=C8)OC6=O)C=C5)=S)=O |
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| Inchi | InChI=1S/C46H45N9O11S2/c56-28-10-13-32-34(19-28)64-35-20-29(57)11-14-33(35)46(32)31-12-7-26(18-30(31)44(61)66-46)53-45(67)48-15-3-1-2-4-37(58)47-16-17-68-22-36-39(59)40(60)43(65-36)54-24-52-38-41(50-23-51-42(38)54)49-21-25-5-8-27(9-6-25)55(62)63/h5-14,18-20,23-24,36,39-40,43,56-57,59-60H,1-4,15-17,21-22H2,(H,47,58)(H2,48,53,67)(H,49,50,51)/t36-,39-,40-,43-/m1/s1 |
| InchiKey | FCQDRKHZBGDNNG-DQZBACKDSA-N |
| Remark |
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