- Charge
- 6 of 6 defined stereocentres
(8alpha)-8-{[(2R,5R,10aR,10bS)-5-Benzyl-10b-hydroxy-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]carbamoyl}-6-methyl-9,10-didehydroergolin-6-ium
CC(C)[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[NH+]([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/p+1/t23-,27+,28+,29+,34+,35-/m0/s1
HEFIYUQVAZFDEE-WJEDNPLUSA-O
CSID:10044716, http://www.chemspider.com/Chemical-Structure.10044716.html (accessed 04:00, Apr 20, 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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