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- 6 of 6 defined stereocentres
(2R,3S)-1-[(3S,4aS,8aS)-3-[(2-Methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-4-phenyl-3-{[N~2~-(2-quinolinylcarbonyl)-L-asparaginyl]amino}-2-butanyl nitrate
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O[N+](=O)[O-]
InChI=1S/C38H49N7O7/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(52-45(50)51)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
SPHXNRBWPVEVAS-UGJKXSETSA-N
CSID:32033361, http://www.chemspider.com/Chemical-Structure.32033361.html (accessed 10:45, Apr 25, 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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