![2-(R)-[2-(S)-(TERT.-BUTOXYCARBONYLMETHYLAMINO)-3-FLUORO-PROPIONYLAMINO]-3-PHENYL-PROPIONIC-ACID-BENZYLESTER](/api/spectrum/JE7uZTkQsvH/structure.png?h=300&w=458 "2-(R)-[2-(S)-(TERT.-BUTOXYCARBONYLMETHYLAMINO)-3-FLUORO-PROPIONYLAMINO]-3-PHENYL-PROPIONIC-ACID-BENZYLESTER")
| SpectraBase Compound ID | 9rx03SBmcTs |
|---|---|
| InChI | InChI=1S/2C25H31FN2O5/c2*1-25(2,3)33-24(31)28(4)21(16-26)22(29)27-20(15-18-11-7-5-8-12-18)23(30)32-17-19-13-9-6-10-14-19/h2*5-14,20-21H,15-17H2,1-4H3,(H,27,29)/t2*20-,21+/m11/s1 |
| InChIKey | KOEGLFHSMOJKFT-KVFZLMDDSA-N |
| Mol Weight | 917.06 g/mol |
| Molecular Formula | C50H62F2N4O10 |
| Exact Mass | 916.443401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE7uZTkQsvH |
|---|---|
| Name | 2-(R)-[2-(S)-(TERT.-BUTOXYCARBONYLMETHYLAMINO)-3-FLUORO-PROPIONYLAMINO]-3-PHENYL-PROPIONIC-ACID-BENZYLESTER |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H62F2N4O10 |
| InChI | InChI=1S/2C25H31FN2O5/c2*1-25(2,3)33-24(31)28(4)21(16-26)22(29)27-20(15-18-11-7-5-8-12-18)23(30)32-17-19-13-9-6-10-14-19/h2*5-14,20-21H,15-17H2,1-4H3,(H,27,29)/t2*20-,21+/m11/s1 |
| InChIKey | KOEGLFHSMOJKFT-KVFZLMDDSA-N |
| Literature Reference Author | H.R.HOVEYDA,J.F.PINAULT |
| Literature Reference Citation | ORG.LETTERS,8,5849(2006) |
| Literature Reference DOI | 10.1021/ol062434q |
| Molecular Weight | 917.060 g/mol |
| Sample ID | 39829 |
| Solvent | CDCl3 |