Try beta.chemspider
- 7 of 7 defined stereocentres
(2S,2a'S,6''R,7S,7'R,8'S,8a'R)-7-Ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,5'H-dispiro[oxepine-2,4'-[5,6,8b]triazaacenaphthylene-7',2''-pyran]-8'-yl 19-[(4-amino-4-oxobut yl)(3-aminopropyl)amino]-19-oxononadecanoate
O=C(N)CCCN(C(=O)CCCCCCCCCCCCCCCCCC(=O)O[C@@H]4[C@]5(/N=C2/N[C@@]1(O[C@H](/C=C\CC1)CC)C[C@H]3N2[C@@H]4CC3)O[C@H](C)CCC5)CCCN
InChI=1S/C47H82N6O6/c1-3-39-25-19-20-31-46(59-39)36-38-29-30-40-44(47(32-21-24-37(2)58-47)51-45(50-46)53(38)40)57-43(56)28-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-42(55)52(35-23-33-48)34-22-26-41(49)54/h19,25,37-40,44H,3-18,20-24,26-36,48H2,1-2H3,(H2,49,54)(H,50,51)/t37-,38+,39+,40-,44+,46+,47-/m1/s1
IYOWMMRJSUYVMO-NWGGDZOKSA-N
CSID:9541306, http://www.chemspider.com/Chemical-Structure.9541306.html (accessed 14:12, Jul 6, 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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