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- 2 of 4 defined stereocentres
4-[(3,5-Dichloroisonicotinoyl)amino]-N-({(3S)-2-[(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phenylalanine
COc1ccc(c(c1)CC(=O)N2[C@@H](C3CCC2CC3)C(=O)N[C@@H](Cc4ccc(cc4)NC(=O)c5c(cncc5Cl)Cl)C(=O)O)OC
InChI=1S/C33H34Cl2N4O7/c1-45-23-11-12-27(46-2)20(14-23)15-28(40)39-22-9-5-19(6-10-22)30(39)32(42)38-26(33(43)44)13-18-3-7-21(8-4-18)37-31(41)29-24(34)16-36-17-25(29)35/h3-4,7-8,11-12,14,16-17,19,22,26,30H,5-6,9-10,13,15H2,1-2H3,(H,37,41)(H,38,42)(H,43,44)/t19?,22?,26-,30-/m0/s1
AAUUYHSDYYLYNQ-QCJOZRRKSA-N
CSID:30793813, http://www.chemspider.com/Chemical-Structure.30793813.html (accessed 16:18, May 14, 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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