Try beta.chemspider
- Double-bond stereo
- 2 of 2 defined stereocentres
- Non-standard isotope
N-{4-(4-Fluorophenyl)-5-{(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]vinyl}-6-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-2-pyrimidinyl}-N-methylmethanesulfonamide
C([2H])([2H])([2H])C(C([2H])([2H])[2H])C1=C(/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C(=NC(=N1)N(C)S(=O)(=O)C)C3=CC=C(C=C3)F [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C([2H])([2H])[2H]
InChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1/i1D3,2D3
SOEGVMSNJOCVHT-ZPYIEOOESA-N
CSID:58783575, http://www.chemspider.com/Chemical-Structure.58783575.html (accessed 01:23, Jun 1, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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