Try beta.chemspider
- 4 of 4 defined stereocentres
(3S,6S,9S,12S)-9-Benzyl-3-(4-hydroxybenzyl)-6-isobutyl-4,10,12-trimethyl-3,4,6,7,9,10,12,13-octahydro-1,4,7,10,13-benzopentaazacyclohexadecine-2,5,8,11,14(1H)-pentone
C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)CC(C)C)CC4=CC=CC=C4)C
InChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1
UPNQAUFZWGKHGZ-IAURBROLSA-N
CSID:9471654, http://www.chemspider.com/Chemical-Structure.9471654.html (accessed 06:08, Jun 1, 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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