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- 3 of 3 defined stereocentres
N-{[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}-D-aspartic acid
CCCC[C@@]1(CS(=O)(=O)c2cc(c(cc2[C@H](N1)c3ccccc3)OC)CN[C@H](CC(=O)O)C(=O)O)CC
InChI=1S/C27H36N2O7S/c1-4-6-12-27(5-2)17-37(34,35)23-13-19(16-28-21(26(32)33)15-24(30)31)22(36-3)14-20(23)25(29-27)18-10-8-7-9-11-18/h7-11,13-14,21,25,28-29H,4-6,12,15-17H2,1-3H3,(H,30,31)(H,32,33)/t21-,25-,27-/m1/s1
XMAQTKVJNKAOMZ-FZBZCGEPSA-N
CSID:30825900, http://www.chemspider.com/Chemical-Structure.30825900.html (accessed 01:17, Jul 6, 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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