Try beta.chemspider
- 10 of 10 defined stereocentres
- Non-standard isotope
2-{[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxo(2,2,3,4,4-~2~H_5_)cholan-24-yl]amino}ethanesulfonic acid
C[C@H](CCC(=NCCS(=O)(=O)O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC([2H])([2H])[C@]([2H])(C([2H])([2H])[C@H]4C[C@H]3O)O [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)([2H])[2H])O
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1/i8D2,14D2,18D
BHTRKEVKTKCXOH-CTSMKELISA-N
CSID:58785149, http://www.chemspider.com/Chemical-Structure.58785149.html (accessed 04:51, Apr 25, 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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