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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-12-isopropyl-2,5,8,11,14,17,20-heptaoxo-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@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)C)[C@@H](C)O
InChI=1S/C52H98N16O13/c1-9-29(6)12-10-11-13-39(71)59-32(14-20-53)47(76)68-42(31(8)70)52(81)64-35(17-23-56)44(73)62-37-19-25-58-50(79)41(30(7)69)67-48(77)36(18-24-57)61-43(72)34(16-22-55)63-51(80)40(28(4)5)66-49(78)38(26-27(2)3)65-45(74)33(15-21-54)60-46(37)75/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,40-,41-,42-/m0/s1
XTCWWIBVCPEGJS-GZQYODANSA-N
CSID:90635890, http://www.chemspider.com/Chemical-Structure.90635890.html (accessed 17:01, 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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