![N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN](/api/spectrum/5cf0hxJHkjC/structure.png?h=300&w=458 "N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN")
| SpectraBase Compound ID | KIjZEy7M7gX |
|---|---|
| InChI | InChI=1S/C41H47N7O6/c49-37-27-48(36(26-43-37)35(24-30-14-5-1-6-15-30)47-40(52)45-33-20-11-4-12-21-33)28-38(50)46-34(39(51)44-25-31-16-7-2-8-17-31)22-13-23-42-41(53)54-29-32-18-9-3-10-19-32/h1-12,14-21,34-36H,13,22-29H2,(H,42,53)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,52)/t34?,35-,36-/m0/s1 |
| InChIKey | LFSNXBISJIQHRZ-NXSNGYACSA-N |
| Mol Weight | 733.9 g/mol |
| Molecular Formula | C41H47N7O6 |
| Exact Mass | 733.358782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cf0hxJHkjC |
|---|---|
| Name | N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H47N7O6 |
| InChI | InChI=1S/C41H47N7O6/c49-37-27-48(36(26-43-37)35(24-30-14-5-1-6-15-30)47-40(52)45-33-20-11-4-12-21-33)28-38(50)46-34(39(51)44-25-31-16-7-2-8-17-31)22-13-23-42-41(53)54-29-32-18-9-3-10-19-32/h1-12,14-21,34-36H,13,22-29H2,(H,42,53)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,52)/t34?,35-,36-/m0/s1 |
| InChIKey | LFSNXBISJIQHRZ-NXSNGYACSA-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 | 733.867 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14759 |