Try beta.chemspider
- 10 of 10 defined stereocentres
(3S)-3-{[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]amino}-5-methylhexanoic acid
CC(C)C[C@@H](CC(O)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI=1S/C31H53NO4/c1-19(2)16-22(18-29(35)36)32-28(34)11-6-20(3)25-9-10-26-24-8-7-21-17-23(33)12-14-30(21,4)27(24)13-15-31(25,26)5/h19-27,33H,6-18H2,1-5H3,(H,32,34)(H,35,36)/t20-,21-,22+,23-,24+,25-,26+,27+,30+,31-/m1/s1
CFIITYVWCIYGFW-NUSKWMOLSA-N
CSID:76783477, http://www.chemspider.com/Chemical-Structure.76783477.html (accessed 00:53, Jul 7, 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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