- 5 of 5 defined stereocentres
(3S,6S,9S,15aR)-6-[(2-Bromo-1H-indol-3-yl)methyl]-9-[(2S)-2-butanyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone
CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3c4ccccc4[nH]c3Br)CCCCCC(=O)CC
InChI=1S/C33H46BrN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-27(39)32(43)36-25(16-8-6-7-13-21(40)5-2)30(41)37-26(31(42)38-28)19-23-22-14-9-10-15-24(22)35-29(23)34/h9-10,14-15,20,25-28,35H,4-8,11-13,16-19H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)/t20-,25-,26-,27+,28-/m0/s1
WSPZAXPNRNZYQV-SOJMTTIHSA-N
CSID:26639854, http://www.chemspider.com/Chemical-Structure.26639854.html (accessed 02:38, Mar 28, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Click to predict properties on the Chemicalize site
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