| SpectraBase Spectrum ID |
9bJ3ULeEvgX |
| Name |
(Z)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro-4-ethyl-1-methyl aspartate |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.174001178 u |
| Formula |
C24H26N2O7 |
| InChI |
InChI=1S/C24H26N2O7/c1-3-33-21(27)14-19(24(30)31-2)25-23(29)20(16-32-15-17-10-6-4-7-11-17)26-22(28)18-12-8-5-9-13-18/h4-14,20H,3,15-16H2,1-2H3,(H,25,29)(H,26,28)/b19-14-/t20-/m0/s1 |
| InChIKey |
GRHCJGLHNVAOHX-STIKNRRDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
454.479 g/mol |
| Optical Rotation |
[a]D = +8 (c = 0.43, CHCl3) |
| Quality |
30 |
| Reported Formula |
C24H26N2O7 |
| SMILES |
N(C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)\C(=C/C(OCC)=O)C(OC)=O |
| SPLASH |
splash10-0a4l-9800000000-9953d67cf8f9976bc755 |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM8-18c (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901485 |
