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- 13 of 13 defined stereocentres
(6S)-N-[(2S)-4-Amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-15-isobutyl-2,5,8,11,14,17,20-heptaoxo-12-propyl-1,4,7,10,13,16 ,19-heptaazacyclotricosan-21-yl}amino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]-6-methyloctanamide
CC(C)C[C@H]1NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CCC)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)[C@@H](C)O
InChI=1S/C52H98N16O13/c1-8-12-32-43(72)61-34(16-22-54)44(73)63-37(19-25-57)49(78)67-41(30(6)69)51(80)58-26-20-38(47(76)62-35(17-23-55)46(75)66-39(27-28(3)4)50(79)60-32)64-45(74)36(18-24-56)65-52(81)42(31(7)70)68-48(77)33(15-21-53)59-40(71)14-11-10-13-29(5)9-2/h28-39,41-42,69-70H,8-27,53-57H2,1-7H3,(H,58,80)(H,59,71)(H,60,79)(H,61,72)(H,62,76)(H,63,73)(H,64,74)(H,65,81)(H,66,75)(H,67,78)(H,68,77)/t29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39+,41-,42-/m0/s1
IFOMJXUICMRPKC-HAUJRGAMSA-N
CSID:90635754, http://www.chemspider.com/Chemical-Structure.90635754.html (accessed 09:01, Apr 29, 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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