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- 1 of 13 defined stereocentres
(6S)-N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-3-(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-butany l)amino]-3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-methyloctanamide
CC[C@H](C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)C)C(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-DSGRVOGGSA-N
CSID:78445601, http://www.chemspider.com/Chemical-Structure.78445601.html (accessed 03:25, Apr 25, 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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