| SpectraBase Spectrum ID |
BxwKiEYBe51 |
| Name |
(Z)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro-5-(phenyl)norvaline Methyl Ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.215472069 u |
| Formula |
C29H30N2O5 |
| InChI |
InChI=1S/C29H30N2O5/c1-35-29(34)25(19-11-16-22-12-5-2-6-13-22)30-28(33)26(21-36-20-23-14-7-3-8-15-23)31-27(32)24-17-9-4-10-18-24/h2-10,12-15,17-19,26H,11,16,20-21H2,1H3,(H,30,33)(H,31,32)/b25-19-/t26-/m0/s1 |
| InChIKey |
JAZHOOOGHJCNGR-RXSCDKOLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
486.568 g/mol |
| Optical Rotation |
[a]D = +12 (c = 0.52, CHCl3) |
| Quality |
27 |
| Reported Formula |
C29H30N2O5 |
| SMILES |
N(C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)\C(=C/CCC1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-0a4l-8900000000-1accf0839e5c76f0f548 |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM8-18b (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901484 |
