![N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN](/api/spectrum/j1zmG8upOB/structure.png?h=300&w=458 "N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN")
| SpectraBase Compound ID | 9b8qnTdOEY |
|---|---|
| InChI | InChI=1S/C47H58N6O7/c1-47(2,3)60-46(58)51-40(28-35-18-8-4-9-19-35)41-31-53(30-37-22-12-6-13-23-37)43(55)33-52(41)32-42(54)50-39(44(56)49-29-36-20-10-5-11-21-36)26-16-17-27-48-45(57)59-34-38-24-14-7-15-25-38/h4-15,18-25,39-41H,16-17,26-34H2,1-3H3,(H,48,57)(H,49,56)(H,50,54)(H,51,58)/t39?,40-,41-/m0/s1 |
| InChIKey | VKARADMOWGREDE-YHASFJITSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C47H58N6O7 |
| Exact Mass | 818.436698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | j1zmG8upOB |
|---|---|
| Name | N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
| Compound Number | 15B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H58N6O7 |
| InChI | InChI=1S/C47H58N6O7/c1-47(2,3)60-46(58)51-40(28-35-18-8-4-9-19-35)41-31-53(30-37-22-12-6-13-23-37)43(55)33-52(41)32-42(54)50-39(44(56)49-29-36-20-10-5-11-21-36)26-16-17-27-48-45(57)59-34-38-24-14-7-15-25-38/h4-15,18-25,39-41H,16-17,26-34H2,1-3H3,(H,48,57)(H,49,56)(H,50,54)(H,51,58)/t39?,40-,41-/m0/s1 |
| InChIKey | VKARADMOWGREDE-YHASFJITSA-N |
| Literature Reference Author | A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ |
| Literature Reference Citation | MOLECULES,19,4814(2014) |
| Literature Reference DOI | 10.3390/molecules19044814 |
| Molecular Weight | 819.014 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14779 |