![N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN](/api/spectrum/5leVTt8Uj6Q/structure.png?h=300&w=458 "N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN")
| SpectraBase Compound ID | 85FcDcxAE9p |
|---|---|
| InChI | InChI=1S/C42H49N7O6/c50-38-28-49(37(27-44-38)36(25-31-15-5-1-6-16-31)48-41(53)46-34-21-11-4-12-22-34)29-39(51)47-35(40(52)45-26-32-17-7-2-8-18-32)23-13-14-24-43-42(54)55-30-33-19-9-3-10-20-33/h1-12,15-22,35-37H,13-14,23-30H2,(H,43,54)(H,44,50)(H,45,52)(H,47,51)(H2,46,48,53)/t35?,36-,37-/m0/s1 |
| InChIKey | LQRIKMMZJXRBKA-JXFJOITASA-N |
| Mol Weight | 747.9 g/mol |
| Molecular Formula | C42H49N7O6 |
| Exact Mass | 747.374432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5leVTt8Uj6Q |
|---|---|
| Name | N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H49N7O6 |
| InChI | InChI=1S/C42H49N7O6/c50-38-28-49(37(27-44-38)36(25-31-15-5-1-6-16-31)48-41(53)46-34-21-11-4-12-22-34)29-39(51)47-35(40(52)45-26-32-17-7-2-8-18-32)23-13-14-24-43-42(54)55-30-33-19-9-3-10-20-33/h1-12,15-22,35-37H,13-14,23-30H2,(H,43,54)(H,44,50)(H,45,52)(H,47,51)(H2,46,48,53)/t35?,36-,37-/m0/s1 |
| InChIKey | LQRIKMMZJXRBKA-JXFJOITASA-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 | 747.894 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14761 |