| SpectraBase Spectrum ID |
8gFgKTMpMoS |
| Name |
tert-butyl (2S)-2-[[(E,1R)-1-ethylpent-2-enyl]-pent-4-enoyl-amino]-3-phenyl-propanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37NO3 |
| InChI |
InChI=1S/C25H37NO3/c1-7-10-17-21(9-3)26(23(27)18-11-8-2)22(24(28)29-25(4,5)6)19-20-15-13-12-14-16-20/h8,10,12-17,21-22H,2,7,9,11,18-19H2,1,3-6H3/b17-10+/t21-,22+/m1/s1 |
| InChIKey |
GGPDKHHAVNORAV-CYOLBANJSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
399.575 g/mol |
| Optical Rotation |
[a]D20 = -231.2 (365 nm), -136.0 (436 nm), -75.5 (546 nm), -65.7 (579 nm), -63.7 (589 nm) (c = 0.505 g/100 ml, CHCl3) |
| SMILES |
CC\C=C\[C@@](CC)(N([C@](C(=O)OC(C)(C)C)(Cc1ccccc1)[H])C(=O)CCC=C)[H] |
| SPLASH |
splash10-052b-9450000000-2f88c0f957f34caaefe7 |
| Source of Spectrum |
QE-26-SM48-13b |
| Thin-Layer Chromatography |
Rf = 0.20 (Silica, cHex/EtOAc, 5:1) |
| Wiley ID |
1858605 |
![tert-butyl (2S)-2-[[(E,1R)-1-ethylpent-2-enyl]-pent-4-enoyl-amino]-3-phenyl-propanoate](/api/spectrum/8gFgKTMpMoS/structure.png?h=300&w=458 "tert-butyl (2S)-2-[[(E,1R)-1-ethylpent-2-enyl]-pent-4-enoyl-amino]-3-phenyl-propanoate")
