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| Standard English name | |
|---|---|
| Cas No. | 1380316-02-8 |
| Alias | 1-(4-(tert-butyl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)propyl)urea |
| Canonical Smiles | CC(C)(C)C1C=CC(=CC=1)NC(=O)NCCCN(C[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)N1C=CC2=C(NCC3=CC=C(C=C3OC)OC)N=CN=C12)C(C)C |
| MDL No. | |
| Exact Mass | 729.42138 |
| Smiles | COC1=CC=C(CNC2=C3C(N([C@H]4[C@@H]([C@@H]([C@@H](CN(CCCNC(NC5=CC=C(C(C)(C)C)C=C5)=O)C(C)C)O4)O6)OC6(C)C)C=C3)=NC=N2)C(OC)=C1 |
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| Inchi | InChI=1S/C40H55N7O6/c1-25(2)46(19-10-18-41-38(48)45-28-14-12-27(13-15-28)39(3,4)5)23-32-33-34(53-40(6,7)52-33)37(51-32)47-20-17-30-35(43-24-44-36(30)47)42-22-26-11-16-29(49-8)21-31(26)50-9/h11-17,20-21,24-25,32-34,37H,10,18-19,22-23H2,1-9H3,(H2,41,45,48)(H,42,43,44)/t32-,33-,34-,37-/m1/s1 |
| InchiKey | NDPHSLSAVLRSBU-TUDCZORBSA-N |
| Remark |
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