- 5 of 5 defined stereocentres
(8beta)-N-{(2S)-1-[(3S,8aR)-3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxo-2-butanyl}-6-methyl-9,10-didehydroergoline-8-carboxamide
CC(C)[C@@H](C(=O)N1[C@H](C(=O)N2CCC[C@@H]2C1=O)Cc3ccccc3)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C
InChI=1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1
KMDKLWZQLMBIBS-HVWSGMRBSA-N
CSID:58828136, http://www.chemspider.com/Chemical-Structure.58828136.html (accessed 11:40, Sep 30, 2023)
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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