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- 8 of 9 defined stereocentres
3-[(3S,6R,9S,16S,19R,22R,27aS)-16,22-Bis(2-amino-2-oxoethyl)-19-(4-hydroxybenzyl)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-12-octyl-1,4,7,10,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[1,2-j][1,4,7,1 0,13,16,19,22]octaazacyclopentacosin-3-yl]propanoic acid
CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CO)CCC(=O)O)CC(=O)N)Cc3ccc(cc3)O)CC(=O)N
InChI=1S/C45H68N10O15/c1-3-4-5-6-7-8-10-26-20-36(61)49-30(21-34(46)59)41(66)51-29(19-25-12-14-27(58)15-13-25)40(65)52-31(22-35(47)60)45(70)55-18-9-11-33(55)43(68)50-28(16-17-37(62)63)39(64)53-32(23-56)42(67)54-38(24(2)57)44(69)48-26/h12-15,24,26,28-33,38,56-58H,3-11,16-23H2,1-2H3,(H2,46,59)(H2,47,60)(H,48,69)(H,49,61)(H,50,68)(H,51,66)(H,52,65)(H,53,64)(H,54,67)(H,62,63)/t24-,26?,28+,29-,30+,31-,32-,33+,38+/m1/s1
VLKSXJAPRDAENT-OWGHDAAGSA-N
CSID:2342763, http://www.chemspider.com/Chemical-Structure.2342763.html (accessed 04:36, Jun 1, 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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