![N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN](/api/spectrum/HujD3wr1CJ6/structure.png?h=300&w=458 "N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN")
| SpectraBase Compound ID | 8rNt8lfxoce |
|---|---|
| InChI | InChI=1S/C40H52N6O7/c1-40(2,3)53-39(51)45-33(23-29-15-7-4-8-16-29)34-25-42-35(47)26-46(34)27-36(48)44-32(37(49)43-24-30-17-9-5-10-18-30)21-13-14-22-41-38(50)52-28-31-19-11-6-12-20-31/h4-12,15-20,32-34H,13-14,21-28H2,1-3H3,(H,41,50)(H,42,47)(H,43,49)(H,44,48)(H,45,51)/t32?,33-,34+/m0/s1 |
| InChIKey | XFTQFNLOECSOAN-PRIWKQAOSA-N |
| Mol Weight | 728.9 g/mol |
| Molecular Formula | C40H52N6O7 |
| Exact Mass | 728.389748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HujD3wr1CJ6 |
|---|---|
| Name | N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52N6O7 |
| InChI | InChI=1S/C40H52N6O7/c1-40(2,3)53-39(51)45-33(23-29-15-7-4-8-16-29)34-25-42-35(47)26-46(34)27-36(48)44-32(37(49)43-24-30-17-9-5-10-18-30)21-13-14-22-41-38(50)52-28-31-19-11-6-12-20-31/h4-12,15-20,32-34H,13-14,21-28H2,1-3H3,(H,41,50)(H,42,47)(H,43,49)(H,44,48)(H,45,51)/t32?,33-,34+/m0/s1 |
| InChIKey | XFTQFNLOECSOAN-PRIWKQAOSA-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 | 728.889 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14752 |