![N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN](/api/spectrum/JfBC1PkKLcm/structure.png?h=300&w=458 "N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN")
| SpectraBase Compound ID | FYTtzpdwN1W |
|---|---|
| InChI | InChI=1S/C43H51N7O6/c51-39-29-50(38(28-45-39)37(25-32-15-5-1-6-16-32)49-42(54)47-27-34-19-9-3-10-20-34)30-40(52)48-36(41(53)46-26-33-17-7-2-8-18-33)23-13-14-24-44-43(55)56-31-35-21-11-4-12-22-35/h1-12,15-22,36-38H,13-14,23-31H2,(H,44,55)(H,45,51)(H,46,53)(H,48,52)(H2,47,49,54)/t36?,37-,38-/m0/s1 |
| InChIKey | KDMDHTGLKPRSQZ-RJHNEXDJSA-N |
| Mol Weight | 761.9 g/mol |
| Molecular Formula | C43H51N7O6 |
| Exact Mass | 761.390082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfBC1PkKLcm |
|---|---|
| Name | N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H51N7O6 |
| InChI | InChI=1S/C43H51N7O6/c51-39-29-50(38(28-45-39)37(25-32-15-5-1-6-16-32)49-42(54)47-27-34-19-9-3-10-20-34)30-40(52)48-36(41(53)46-26-33-17-7-2-8-18-33)23-13-14-24-44-43(55)56-31-35-21-11-4-12-22-35/h1-12,15-22,36-38H,13-14,23-31H2,(H,44,55)(H,45,51)(H,46,53)(H,48,52)(H2,47,49,54)/t36?,37-,38-/m0/s1 |
| InChIKey | KDMDHTGLKPRSQZ-RJHNEXDJSA-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 | 761.921 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWBT14765 |