Try beta.chemspider
- 3 of 3 defined stereocentres
(1S,14R,16R)-19-Bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.1~3,7~.0~1,16~.0~2,12~.0~10,22~]docosa-2(12),3,7,10(22),19-pentaene-11,18-dione
c1c2c3c([nH]1)C(=O)C4=C(C3=NCC2)[C@@]56C[C@H](N4)S[C@@H]5CC(=O)C(=C6)Br
InChI=1S/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11-,18+/m1/s1
IMRWMDAHKYBDMQ-YRUZYCQGSA-N
CSID:57641807, http://www.chemspider.com/Chemical-Structure.57641807.html (accessed 18:31, Apr 23, 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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