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- 7 of 7 defined stereocentres
(3R,6S,9R,12S,15S,23R)-15-[(N-Acetyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-chlorobenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc2c[nH]cn2)Cc3ccc(cc3)Cl)CCCN=C(N)N)Cc4c[nH]c5c4cccc5)C(=O)N)NC(=O)C
InChI=1S/C50H68ClN15O9/c1-3-4-11-36(60-28(2)67)44(70)66-41-24-42(68)56-19-8-7-13-35(43(52)69)61-47(73)39(22-30-25-58-34-12-6-5-10-33(30)34)64-45(71)37(14-9-20-57-50(53)54)62-46(72)38(21-29-15-17-31(51)18-16-29)63-48(74)40(65-49(41)75)23-32-26-55-27-59-32/h5-6,10,12,15-18,25-27,35-41,58H,3-4,7-9,11,13-14,19-24H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,75)(H,66,70)(H4,53,54,57)/t35-,36+,37+,38-,39-,40+,41+/m1/s1
XKNNYYXDOBIKRE-MYGWSCCLSA-N
CSID:23199607, http://www.chemspider.com/Chemical-Structure.23199607.html (accessed 01:07, Apr 30, 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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