Try beta.chemspider
- 5 of 5 defined stereocentres
6-{3-[({2-Chloro-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-6-yl}amino)methyl]phenyl}-5-hexynoic acid
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n3cnc4c3nc(nc4NCc5cccc(c5)C#CCCCC(=O)O)Cl
InChI=1S/C26H27ClN6O5/c1-28-24(38)26-11-16(26)19(20(36)21(26)37)33-13-30-18-22(31-25(27)32-23(18)33)29-12-15-8-5-7-14(10-15)6-3-2-4-9-17(34)35/h5,7-8,10,13,16,19-21,36-37H,2,4,9,11-12H2,1H3,(H,28,38)(H,34,35)(H,29,31,32)/t16-,19-,20+,21+,26+/m1/s1
HQMYBQYXNBGGQE-LXILBCFHSA-N
CSID:23315546, http://www.chemspider.com/Chemical-Structure.23315546.html (accessed 23:29, Jun 15, 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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