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- 7 of 11 defined stereocentres
3-[(3R,6S,9R,12R,15S,18R,21R)-3,18-Di-sec-butyl-9-(carboxymethyl)-6,15-diisobutyl-12-isopropyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl] propanoic acid
CC(CC)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)CC(CCCCCCCCC(C)CC)OC1=O)C(C)CC)C(C)C
InChI=1S/C53H93N7O13/c1-13-33(10)22-20-18-16-17-19-21-23-36-28-41(61)54-37(24-25-42(62)63)47(66)59-45(34(11)14-2)52(71)56-39(27-31(6)7)49(68)58-44(32(8)9)51(70)57-40(29-43(64)65)48(67)55-38(26-30(4)5)50(69)60-46(35(12)15-3)53(72)73-36/h30-40,44-46H,13-29H2,1-12H3,(H,54,61)(H,55,67)(H,56,71)(H,57,70)(H,58,68)(H,59,66)(H,60,69)(H,62,63)(H,64,65)/t33?,34?,35?,36?,37-,38+,39+,40-,44-,45-,46-/m1/s1
NTVABXIXFOBNOR-FDUCFQOYSA-N
CSID:97091900, http://www.chemspider.com/Chemical-Structure.97091900.html (accessed 16:30, Apr 28, 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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