| SpectraBase Compound ID | INLDsny4qHP |
|---|---|
| InChI | InChI=1S/C41H45N6O9P/c1-3-56-57(54,26-42-38(48)27(2)43-41(51)55-25-35-33-16-9-7-14-31(33)32-15-8-10-17-34(32)35)46-23-11-18-37(46)40(50)45-36(24-28-12-5-4-6-13-28)39(49)44-29-19-21-30(22-20-29)47(52)53/h4-10,12-17,19-22,27,35-37H,3,11,18,23-26H2,1-2H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)/t27-,36-,37-,57?/m0/s1 |
| InChIKey | YYCRVKIXQROIQH-SLSLCIDRSA-N |
| Mol Weight | 796.8 g/mol |
| Molecular Formula | C41H45N6O9P |
| Exact Mass | 796.298564 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vy2HnomKXA |
|---|---|
| Name | FMOC-ALA-GLY-OMEGA-(PO2ET-N)-PRO-PHE-PNA;MINOR-ISOMER |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H45N6O9P |
| InChI | InChI=1S/C41H45N6O9P/c1-3-56-57(54,26-42-38(48)27(2)43-41(51)55-25-35-33-16-9-7-14-31(33)32-15-8-10-17-34(32)35)46-23-11-18-37(46)40(50)45-36(24-28-12-5-4-6-13-28)39(49)44-29-19-21-30(22-20-29)47(52)53/h4-10,12-17,19-22,27,35-37H,3,11,18,23-26H2,1-2H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)/t27-,36-,37-,57?/m0/s1 |
| InChIKey | YYCRVKIXQROIQH-SLSLCIDRSA-N |
| Literature Reference Author | L.DEMANGE,M.MOUTIEZ,C.DUGAVE |
| Literature Reference Citation | J.MED.CHEM.,45,3928(2002) |
| Literature Reference DOI | 10.1021/jm020865i |
| Solvent | CDCl3 |
| Source File Reference | UWLU64803 |