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| Standard English name | |
|---|---|
| Cas No. | |
| Alias | 1-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-((4-((4-((4-((3-methyl-4-((4-((2-(pyridin-4-yl)ethyl)thio)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)-2,5-dipropoxyphenyl)ethynyl)benzyl)amino)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Canonical Smiles | CC1=CC(=CC=C1C#CC1C=CC(=CC=1)SCCC1C=CN=CC=1)C#CC1C=CC(=CC=1)C#CC1C=C(OCCC)C(=CC=1OCCC)C#CC1C=CC(CN[C@@H]2[C@H](O)[C@@H](COC(C3C=CC=CC=3)(C3C=CC(=CC=3)OC)C3C=CC(=CC=3)OC)O[C@H]2N2C=CC(=O)NC2=O)=CC=1 |
| MDL No. | |
| Exact Mass | 1,302.51765 |
| Smiles | O[C@@H]([C@@H](NCC1=CC=C(C#CC2=CC(OCCC)=C(C#CC3=CC=C(C#CC4=CC=C(C#CC5=CC=C(SCCC6=CC=NC=C6)C=C5)C(C)=C4)C=C3)C=C2OCCC)C=C1)[C@H](N7C(NC(C=C7)=O)=O)O8)[C@H]8COC(C9=CC=C(OC)C=C9)(C%10=CC=C(OC)C=C%10)C%11=CC=CC=C%11 |
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| Inchi | InChI=1S/C83H74N4O9S/c1-6-50-93-75-55-68(76(94-51-7-2)54-67(75)31-24-60-15-13-59(14-16-60)17-20-64-26-30-66(58(3)53-64)29-23-62-27-41-74(42-28-62)97-52-46-63-43-47-84-48-44-63)32-25-61-18-21-65(22-19-61)56-85-79-80(89)77(96-81(79)87-49-45-78(88)86-82(87)90)57-95-83(69-11-9-8-10-12-69,70-33-37-72(91-4)38-34-70)71-35-39-73(92-5)40-36-71/h8-16,18-19,21-22,26-28,30,33-45,47-49,53-55,77,79-81,85,89H,6-7,46,50-52,56-57H2,1-5H3,(H,86,88,90)/t77-,79-,80-,81-/m1/s1 |
| InchiKey | YWEVFVCLMOAUPS-WHUIAIKYSA-N |
| Remark |
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