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- 4 of 4 defined stereocentres
(6R,17S,20R,29S)-20-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,29-dimethyl-3,10,19-trioxo-2,5,8,11,18-pentaazatetracyclo[20.2.2.2~5,8~.2~12,15~]triaconta-1(24),12,14,22,25,27-hexaene-17-carbo xamide trifluoroacetate (1:1)
C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@H](C(=O)N[C@@H](Cc4ccc(cc4)NC(=O)CN1C[C@H]2C)C(=O)NCc5ccc(cc5)C(=N)N)NS(=O)(=O)Cc6ccccc6.C(=O)(C(F)(F)F)O
InChI=1S/C43H51N9O6S.C2HF3O2/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2;3-2(4,5)1(6)7/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56);(H,6,7)/t28-,29+,37-,38+;/m0./s1
ILXNFZFJPGWGAV-NSDLUCIFSA-N
CSID:29396859, http://www.chemspider.com/Chemical-Structure.29396859.html (accessed 14:30, Jun 16, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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