![(2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[(tert-butoxycarbonyl)hydroxy]phenyl}-N-[4-(trifluoromethyl)benzyl]propanamide](/api/spectrum/CyrZwMMXs3A/structure.png?h=300&w=458 "(2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[(tert-butoxycarbonyl)hydroxy]phenyl}-N-[4-(trifluoromethyl)benzyl]propanamide")
| SpectraBase Compound ID | 3qvmn3xiqn9 |
|---|---|
| InChI | InChI=1S/C27H33F3N2O6/c1-25(2,3)37-23(34)32-21(22(33)31-16-18-7-11-19(12-8-18)27(28,29)30)15-17-9-13-20(14-10-17)36-24(35)38-26(4,5)6/h7-14,21H,15-16H2,1-6H3,(H,31,33)(H,32,34)/t21-/m0/s1 |
| InChIKey | HZIUHBFRKIPYMX-NRFANRHFSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C27H33F3N2O6 |
| Exact Mass | 538.229071 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CyrZwMMXs3A |
|---|---|
| Name | (2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[(tert-butoxycarbonyl)hydroxy]phenyl}-N-[4-(trifluoromethyl)benzyl]propanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H33F3N2O6 |
| InChI | InChI=1S/C27H33F3N2O6/c1-25(2,3)37-23(34)32-21(22(33)31-16-18-7-11-19(12-8-18)27(28,29)30)15-17-9-13-20(14-10-17)36-24(35)38-26(4,5)6/h7-14,21H,15-16H2,1-6H3,(H,31,33)(H,32,34)/t21-/m0/s1 |
| InChIKey | HZIUHBFRKIPYMX-NRFANRHFSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 538.564 g/mol |
| SMILES | N(Cc1ccc(cc1)C(F)(F)F)C([C@](Cc1ccc(cc1)OC(OC(C)(C)C)=O)(NC(OC(C)(C)C)=O)[H])=O |
| SPLASH | splash10-00di-0309000000-001f1ca2b5e5e629bb3e |
| Source of Spectrum | EP4015501A1 |
| Wiley ID | 1884643 |