![N-[2-[4-BENZYL-(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN](/api/spectrum/6BivPkMCgg0/structure.png?h=300&w=458 "N-[2-[4-BENZYL-(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN")
| SpectraBase Compound ID | IzyjpOHgNTN |
|---|---|
| InChI | InChI=1S/C50H57N7O6/c58-46(54-43(48(60)52-31-39-20-8-2-9-21-39)28-16-17-29-51-50(62)63-37-42-26-14-5-15-27-42)35-56-36-47(59)57(33-41-24-12-4-13-25-41)34-45(56)44(30-38-18-6-1-7-19-38)55-49(61)53-32-40-22-10-3-11-23-40/h1-15,18-27,43-45H,16-17,28-37H2,(H,51,62)(H,52,60)(H,54,58)(H2,53,55,61)/t43?,44-,45+/m0/s1 |
| InChIKey | ZPHPKYDRXAKPLN-MPJXAXDGSA-N |
| Mol Weight | 852.0 g/mol |
| Molecular Formula | C50H57N7O6 |
| Exact Mass | 851.437033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6BivPkMCgg0 |
|---|---|
| Name | N-[2-[4-BENZYL-(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H57N7O6 |
| InChI | InChI=1S/C50H57N7O6/c58-46(54-43(48(60)52-31-39-20-8-2-9-21-39)28-16-17-29-51-50(62)63-37-42-26-14-5-15-27-42)35-56-36-47(59)57(33-41-24-12-4-13-25-41)34-45(56)44(30-38-18-6-1-7-19-38)55-49(61)53-32-40-22-10-3-11-23-40/h1-15,18-27,43-45H,16-17,28-37H2,(H,51,62)(H,52,60)(H,54,58)(H2,53,55,61)/t43?,44-,45+/m0/s1 |
| InChIKey | ZPHPKYDRXAKPLN-MPJXAXDGSA-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 | 852.046 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14796 |