![N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN](/api/spectrum/8H4JuyRfUNF/structure.png?h=300&w=458 "N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN")
| SpectraBase Compound ID | BglzJ2Py3qp |
|---|---|
| InChI | InChI=1S/C46H56N6O7/c1-46(2,3)59-45(57)50-39(27-34-17-8-4-9-18-34)40-30-52(29-36-21-12-6-13-22-36)42(54)32-51(40)31-41(53)49-38(43(55)48-28-35-19-10-5-11-20-35)25-16-26-47-44(56)58-33-37-23-14-7-15-24-37/h4-15,17-24,38-40H,16,25-33H2,1-3H3,(H,47,56)(H,48,55)(H,49,53)(H,50,57)/t38?,39-,40-/m0/s1 |
| InChIKey | TURSSWOCCOUTDA-MIXXVGDRSA-N |
| Mol Weight | 805.0 g/mol |
| Molecular Formula | C46H56N6O7 |
| Exact Mass | 804.421048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8H4JuyRfUNF |
|---|---|
| Name | N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN |
| Compound Number | 15A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H56N6O7 |
| InChI | InChI=1S/C46H56N6O7/c1-46(2,3)59-45(57)50-39(27-34-17-8-4-9-18-34)40-30-52(29-36-21-12-6-13-22-36)42(54)32-51(40)31-41(53)49-38(43(55)48-28-35-19-10-5-11-20-35)25-16-26-47-44(56)58-33-37-23-14-7-15-24-37/h4-15,17-24,38-40H,16,25-33H2,1-3H3,(H,47,56)(H,48,55)(H,49,53)(H,50,57)/t38?,39-,40-/m0/s1 |
| InChIKey | TURSSWOCCOUTDA-MIXXVGDRSA-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 | 804.987 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14777 |