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- 3 of 3 defined stereocentres
N-{(2S,13S)-2-[4-Hydroxy-3-(2-methyl-2-propanyl)benzyl]-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl}-L-phenylalaninamide
O=C1NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC1)Cc2ccc(O)c(c2)C(C)(C)C)NC(=O)[C@@H](N)Cc3ccccc3
InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23-,24-,25-/m0/s1
RRXAKVUZGASTMY-SDHOMARFSA-N
CSID:8026617, http://www.chemspider.com/Chemical-Structure.8026617.html (accessed 17:46, May 23, 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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