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- 4 of 4 defined stereocentres
(3S,6S,9S,15R)-15-Benzyl-9-isopropyl-3-methyl-6-[2-(methylsulfanyl)ethyl]-13-[4-oxo-4-(2,4,5-trimethoxyphenyl)butanoyl]-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11-tetrone
C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CCC(=O)c2cc(c(cc2OC)OC)OC)Cc3ccccc3
InChI=1S/C37H51N5O9S/c1-22(2)34-37(48)40-27(15-16-52-7)36(47)38-23(3)35(46)39-25(17-24-11-9-8-10-12-24)20-42(21-32(44)41-34)33(45)14-13-28(43)26-18-30(50-5)31(51-6)19-29(26)49-4/h8-12,18-19,22-23,25,27,34H,13-17,20-21H2,1-7H3,(H,38,47)(H,39,46)(H,40,48)(H,41,44)/t23-,25+,27-,34-/m0/s1
PMHXYIPBCACANE-SJHJWBMZSA-N
CSID:71343237, http://www.chemspider.com/Chemical-Structure.71343237.html (accessed 05:07, 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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