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- 1 of 13 defined stereocentres
N-(3-Hydroxydecanoyl)leucyl-N-[(15R)-3,18-di-sec-butyl-6,12-bis(hydroxymethyl)-9,15-diisobutyl-22-methyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-alpha-glutamine hyd rate (1:1)
CCCCCCCC(C/C(=N\C(CC(C)C)/C(=N\C(CCC(=O)O)/C(=N\C\1C(OC(=O)C(/N=C(/C(/N=C(/C(/N=C(/C(/N=C(/[C@H](/N=C(/C(/N=C1\O)C(C)CC)\O)CC(C)C)\O)CO)\O)CC(C)C)\O)CO)\O)C(C)CC)C)/O)/O)/O)O.O
InChI=1S/C55H97N9O16.H2O/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78;/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70);1H2/t32?,33?,34?,35?,36?,37?,38?,39-,40?,41?,44?,45?,46?;/m1./s1
HIWOGTWYFAWCLO-MFOLJNTOSA-N
CSID:30650315, http://www.chemspider.com/Chemical-Structure.30650315.html (accessed 08:28, Jul 6, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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