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- 7 of 7 defined stereocentres
N-{5-[(3aR,4R,6aS)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-alpha-aspartyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-valinamide trifluoroacetate (1:1)
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCC[C@@H]1[C@H]2[C@@H](CS1)NC(=O)N2.C(=O)(C(F)(F)F)O
InChI=1S/C28H42N6O12S.C2HF3O2/c1-13(2)23(27(45)29-14(11-35)9-21(39)40)33-25(43)15(7-8-20(37)38)31-26(44)16(10-22(41)42)30-19(36)6-4-3-5-18-24-17(12-47-18)32-28(46)34-24;3-2(4,5)1(6)7/h11,13-18,23-24H,3-10,12H2,1-2H3,(H,29,45)(H,30,36)(H,31,44)(H,33,43)(H,37,38)(H,39,40)(H,41,42)(H2,32,34,46);(H,6,7)/t14-,15-,16-,17+,18+,23-,24+;/m0./s1
KNYCBYIWLOLJSR-XOFSVAJBSA-N
CSID:71117227, http://www.chemspider.com/Chemical-Structure.71117227.html (accessed 11:55, Jul 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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