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- 6 of 12 defined stereocentres
N-(4-Amino-1-{[(2R,3R)-1-{[4-amino-1-oxo-1-({(3S,12R,15R)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl}am ino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl)-6-methylheptanamide
C[C@H]([C@H]1C(=O)NCCC(C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)NC(C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)C(CCN)NC(=O)[C@@H]([C@@H](C)O)NC(=O)C(CCN)NC(=O)CCCCC(C)C)O
InChI=1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32?,33?,34?,35?,36?,37?,38-,39-,41+,42-/m1/s1
KNIWPHSUTGNZST-BLFHIXQZSA-N
CSID:4932463, http://www.chemspider.com/Chemical-Structure.4932463.html (accessed 10:30, May 13, 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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