Try beta.chemspider
- 8 of 8 defined stereocentres
N-[(3S,6S,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
C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N/[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C
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-XZNJZDOZSA-N
CSID:26365309, http://www.chemspider.com/Chemical-Structure.26365309.html (accessed 21:47, Apr 26, 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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