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- 6 of 8 defined stereocentres
N-[(7E,14R,14aS)-3-Isopropyl-14-methyl-6-(2-methyl-2-propanyl)-1,4,10-trioxo-1,2,3,4,5,6,9,10,12,13,14,14a-dodecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-7-yl]-3-methyl-L-valyl-(betaS)-N-[(1R )-3-methoxy-3-oxo-1-(1,3-thiazol-2-yl)propyl]-beta-methyl-L-phenylalaninamide
CC(C)C1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)CN=C(N[C@H](C(=O)N[C@@H]([C@@H](C)C2=CC=CC=C2)C(=O)N[C@H](CC(=O)OC)C2=NC=CS2)C(C)(C)C)C(NC1=O)C(C)(C)C |t:17|
InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30?,31+,32+,33?,34-/m1/s1
KSIZLOPUXFSFNR-YGDXDLJVSA-N
CSID:128921608, http://www.chemspider.com/Chemical-Structure.128921608.html (accessed 20:21, Jun 8, 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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