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- 8 of 8 defined stereocentres
(3R,6S,9S,17S,20S,23S,25R)-9-[[(2S)-2-acetamidohexanoyl]amino]-25-guanidino-6-(1H-imidazol-5-ylmethyl)-20-(1H-indol-3-ylmethyl)-3-(2-naphthylmethyl)-2,5,8,11,19,22-hexaoxo-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc3cnc[nH]3)Cc4ccc5ccccc5c4)NC(=N)N)Cc6c[nH]c7c6cccc7)C(=O)N)NC(=O)C
InChI=1S/C54H69N15O9/c1-3-4-14-40(62-30(2)70)48(73)66-43-25-46(71)59-19-10-9-16-39(47(55)72)64-49(74)41(22-34-26-60-38-15-8-7-13-37(34)38)67-52(77)45-24-36(63-54(56)57)28-69(45)53(78)44(21-31-17-18-32-11-5-6-12-33(32)20-31)68-50(75)42(65-51(43)76)23-35-27-58-29-61-35/h5-8,11-13,15,17-18,20,26-27,29,36,39-45,60H,3-4,9-10,14,16,19,21-25,28H2,1-2H3,(H2,55,72)(H,58,61)(H,59,71)(H,62,70)(H,64,74)(H,65,76)(H,66,73)(H,67,77)(H,68,75)(H4,56,57,63)/t36-,39+,40+,41+,42+,43+,44-,45+/m1/s1
AODONYDDQNDROG-KJOXKCFISA-N
CSID:24713001, http://www.chemspider.com/Chemical-Structure.24713001.html (accessed 12:49, May 9, 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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