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| Standard English name | |
|---|---|
| Cas No. | 2382768-62-7 |
| Alias | [(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical Smiles | C[C@@H]1C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](C[C@@H](O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C1=O)[C@H](C)C[C@H]1C[C@@H](OC)[C@@H](CC1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CC2C=CC(CN3N=C(C4C3=NC=NC=4N)C3=CC4N=C(N)OC=4C=C3)=CC=2CC1)OC |
| MDL No. | MFCD34471687 |
| Exact Mass | 1,776.97290 |
| Smiles | C[C@@H]1CC[C@H]2C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)[C@H](O)C[C@@H]([C@@H](C[C@@H]3CC[C@@H](OC(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N4CCC5=C(C=CC(CN6C7=NC=NC(N)=C7C(C8=CC9=C(OC(N)=N9)C=C8)=N6)=C5)C4)=O)=O)[C@H](OC)C3)C)OC([C@@H]%10CCCCN%10C(C([C@]1(O)O2)=O)=O)=O)=O |
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| Density | 1.31±0.1 g/cm3(Predicted) |
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| Inchi | InChI=1S/C93H136N10O24/c1-59-16-12-11-13-17-60(2)77(113-8)54-71-24-19-65(7)93(112,127-71)86(108)89(109)102-30-15-14-18-73(102)90(110)124-78(55-74(104)61(3)49-64(6)84(107)85(115-10)83(106)63(5)48-59)62(4)50-66-21-25-76(79(52-66)114-9)126-92(111)96-29-33-117-35-37-119-39-41-121-43-45-123-47-46-122-44-42-120-40-38-118-36-34-116-32-28-80(105)101-31-27-68-51-67(20-22-70(68)57-101)56-103-88-81(87(94)97-58-98-88)82(100-103)69-23-26-75-72(53-69)99-91(95)125-75/h11-13,16-17,20,22-23,26,49,51,53,58-59,61-63,65-66,71,73-74,76-79,84-85,104,107,112H,14-15,18-19,21,24-25,27-48,50,52,54-57H2,1-10H3,(H2,95,99)(H,96,111)(H2,94,97,98)/b13-11+,16-12+,60-17+,64-49+/t59-,61-,62-,63-,65-,66+,71+,73+,74-,76-,77+,78+,79-,84-,85+,93-/m1/s1 |
| InchiKey | IUTYTXDIGUNPAA-GKVGALOGSA-N |
| Remark |
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