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- 11 of 11 defined stereocentres
(2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]amino}-3-oxo-1,2-propanediyl bis(hydrogen sulfate)
CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccc(cc3)O)C)[C@@H](C)CC)O)CCCNC(=N)N)NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C
InChI=1S/C40H63N9O18S2/c1-7-20(3)30-39(58)66-22(5)31(47-35(54)28(67-69(62,63)64)19-65-68(59,60)61)36(55)44-25(10-9-17-43-40(41)42)33(52)45-26-15-16-29(51)49(37(26)56)32(21(4)8-2)38(57)48(6)27(34(53)46-30)18-23-11-13-24(50)14-12-23/h11-14,20-22,25-32,50-51H,7-10,15-19H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)(H,62,63,64)/t20-,21-,22+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1
QONBAISRUZCJFF-KMHGOLGOSA-N
CSID:24664656, http://www.chemspider.com/Chemical-Structure.24664656.html (accessed 01:41, Jul 2, 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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