![[(R)-(R,S)-(S)]-2-BENZYLTHIO-2-[(1'-(N-BENZYLOXYCARBONYL)-AMINO-2'-PHENYLETHYL)-HYDROXYPHOSPHINYL]-METHYL-PROPANOYL-(L)-TRYPTOPHANYLAMIDE](/api/spectrum/FZV7LJ96dyq/structure.png?h=300&w=458 "[(R)-(R,S)-(S)]-2-BENZYLTHIO-2-[(1'-(N-BENZYLOXYCARBONYL)-AMINO-2'-PHENYLETHYL)-HYDROXYPHOSPHINYL]-METHYL-PROPANOYL-(L)-TRYPTOPHANYLAMIDE")
| SpectraBase Compound ID | I6T7cSi82WB |
|---|---|
| InChI | InChI=1S/C37H45N4O6PS/c38-35(42)33(21-28-22-39-32-19-11-10-18-31(28)32)40-36(43)29(25-49-30-16-8-3-9-17-30)24-48(45,46)34(20-26-12-4-1-5-13-26)41-37(44)47-23-27-14-6-2-7-15-27/h1-2,4-7,10-15,18-19,22,29-30,33-34,39H,3,8-9,16-17,20-21,23-25H2,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)/t29?,33?,34-/m1/s1 |
| InChIKey | XJRKZGLFHHHGLV-JVLLYIKLSA-N |
| Mol Weight | 704.8 g/mol |
| Molecular Formula | C37H45N4O6PS |
| Exact Mass | 704.279743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZV7LJ96dyq |
|---|---|
| Name | [(R)-(R,S)-(S)]-2-BENZYLTHIO-2-[(1'-(N-BENZYLOXYCARBONYL)-AMINO-2'-PHENYLETHYL)-HYDROXYPHOSPHINYL]-METHYL-PROPANOYL-(L)-TRYPTOPHANYLAMIDE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44N4O6PS |
| InChI | InChI=1S/C37H45N4O6PS/c38-35(42)33(21-28-22-39-32-19-11-10-18-31(28)32)40-36(43)29(25-49-30-16-8-3-9-17-30)24-48(45,46)34(20-26-12-4-1-5-13-26)41-37(44)47-23-27-14-6-2-7-15-27/h1-2,4-7,10-15,18-19,22,29-30,33-34,39H,3,8-9,16-17,20-21,23-25H2,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)/t29?,33?,34-/m1/s1 |
| InChIKey | XJRKZGLFHHHGLV-JVLLYIKLSA-N |
| Literature Reference Author | M.MATZIARI,D.GEORGIADIS,V.DIVE,A.YIOTAKIS |
| Literature Reference Citation | ORG.LETTERS,3,659(2001) |
| Literature Reference DOI | 10.1021/ol0069103 |
| Molecular Weight | 703.813 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU33701 |