SpectraBase Spectrum ID |
2Y5vhqhYzLk |
Name |
Methyl (1'R,1S,2R,5S)-5-[(4-methoxyphenyl)methyl]-2-{1'-[4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]ethylamino]{cyclohexanepropionate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H34F3N3O3 |
InChI |
InChI=1S/C28H34F3N3O3/c1-18(21-5-4-6-23(17-21)27(33-34-27)28(29,30)31)32-25-13-9-20(16-22(25)10-14-26(35)37-3)15-19-7-11-24(36-2)12-8-19/h4-8,11-12,17-18,20,22,25,32H,9-10,13-16H2,1-3H3/t18-,20?,22+,25-/m1/s1 |
InChIKey |
ZEYKQMYQYASJEC-AVLFNBPISA-N |
Molecular Weight |
517.593 g/mol |
SMILES |
N([C@@](c1cc(C2(N=N2)C(F)(F)F)ccc1)(C)[H])[C@]1([C@](CC(CC1)Cc1ccc(cc1)OC)(CCC(=O)OC)[H])[H] |
SPLASH |
splash10-00di-0920200000-74b1eda24112a7a26a31 |
Source of Spectrum |
KC-61-11249-13 |
Wiley ID |
1631308 |