| SpectraBase Compound ID | UHUKXfjzdS |
|---|---|
| InChI | InChI=1S/C36H43FN4O6/c1-21-16-26(42)17-22(2)28(21)20-32(36(46)47)41-33(43)27-10-6-7-11-30(27)39-35(45)31(19-23-8-4-3-5-9-23)40-34(44)29(38)18-24-12-14-25(37)15-13-24/h3-5,8-9,12-17,27,29-32,42H,6-7,10-11,18-20,38H2,1-2H3,(H,39,45)(H,40,44)(H,41,43)(H,46,47) |
| InChIKey | QYJXPFFRLQDWNE-UHFFFAOYSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C36H43FN4O6 |
| Exact Mass | 646.316663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOdkaKdGoAE |
|---|---|
| Name | DMT-(1-S,2-R)-ACHC-PHE-PARA-F-PHE-NH2 |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H43FN4O6 |
| InChI | InChI=1S/C36H43FN4O6/c1-21-16-26(42)17-22(2)28(21)20-32(36(46)47)41-33(43)27-10-6-7-11-30(27)39-35(45)31(19-23-8-4-3-5-9-23)40-34(44)29(38)18-24-12-14-25(37)15-13-24/h3-5,8-9,12-17,27,29-32,42H,6-7,10-11,18-20,38H2,1-2H3,(H,39,45)(H,40,44)(H,41,43)(H,46,47) |
| InChIKey | QYJXPFFRLQDWNE-UHFFFAOYSA-N |
| Literature Reference Author | J.R.MALLAREDDY,A.BORICS,A.KERESZTES,K.E.KOEVER,D.TOURWE,G.TO TH |
| Literature Reference Citation | J.MED.CHEM.,54,1462(2011) |
| Literature Reference DOI | 10.1021/jm101515v |
| Molecular Weight | 646.759 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ48171 |