![N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN](/api/spectrum/I3i1wsCS6WW/structure.png?h=300&w=458 "N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN")
| SpectraBase Compound ID | JB6DwAtwXvD |
|---|---|
| InChI | InChI=1S/C39H50N6O7/c1-39(2,3)52-38(50)44-32(22-28-14-7-4-8-15-28)33-24-41-34(46)25-45(33)26-35(47)43-31(36(48)42-23-29-16-9-5-10-17-29)20-13-21-40-37(49)51-27-30-18-11-6-12-19-30/h4-12,14-19,31-33H,13,20-27H2,1-3H3,(H,40,49)(H,41,46)(H,42,48)(H,43,47)(H,44,50)/t31?,32-,33+/m0/s1 |
| InChIKey | QLBBUWVOFLFTIK-ADIDXWPESA-N |
| Mol Weight | 714.9 g/mol |
| Molecular Formula | C39H50N6O7 |
| Exact Mass | 714.374098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3i1wsCS6WW |
|---|---|
| Name | N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50N6O7 |
| InChI | InChI=1S/C39H50N6O7/c1-39(2,3)52-38(50)44-32(22-28-14-7-4-8-15-28)33-24-41-34(46)25-45(33)26-35(47)43-31(36(48)42-23-29-16-9-5-10-17-29)20-13-21-40-37(49)51-27-30-18-11-6-12-19-30/h4-12,14-19,31-33H,13,20-27H2,1-3H3,(H,40,49)(H,41,46)(H,42,48)(H,43,47)(H,44,50)/t31?,32-,33+/m0/s1 |
| InChIKey | QLBBUWVOFLFTIK-ADIDXWPESA-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 | 714.862 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14750 |