Try beta.chemspider
- Double-bond stereo
- 7 of 7 defined stereocentres
(2S)-1-{(E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydro-4-pyridiniumyl]vinyl}-6-(beta-D-glucopyranosyloxy)-5-hydroxy-2-indolinecarboxylate
c1c2c(cc(c1O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N([C@@H](C2)C(=O)[O-])/C=C/C4=CC(=[NH+][C@@H](C4)C(=O)O)C(=O)O
InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t12-,14-,17+,18+,19-,20+,24+/m0/s1
IKCBLEDGTPAJDE-FTNGGYTGSA-N
CSID:57488102, http://www.chemspider.com/Chemical-Structure.57488102.html (accessed 21:48, Apr 26, 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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