| SpectraBase Spectrum ID |
AO5RTO6PpVr |
| Name |
(Z)-(N-Benzoyl-O-benzyl-L-seryl)-.alpha.,.beta.-dehydro-5-(N-benzyloxycarbonyl)ornithine Methyl Ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.231850408 u |
| Formula |
C31H33N3O7 |
| InChI |
InChI=1S/C31H33N3O7/c1-39-30(37)26(18-11-19-32-31(38)41-21-24-14-7-3-8-15-24)33-29(36)27(22-40-20-23-12-5-2-6-13-23)34-28(35)25-16-9-4-10-17-25/h2-10,12-18,27H,11,19-22H2,1H3,(H,32,38)(H,33,36)(H,34,35)/b26-18-/t27-/m0/s1 |
| InChIKey |
PGFZFIGETBUBMC-QXEJOFBLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
559.619 g/mol |
| Optical Rotation |
[a]D = +5 (c = 0.54, CHCl3) |
| Quality |
7 |
| SMILES |
N(C([C@](COCC1=CC=CC=C1)(NC(C1=CC=CC=C1)=O)[H])=O)\C(=C/CCNC(OCC1=CC=CC=C1)=O)C(OC)=O |
| SPLASH |
splash10-0006-9000000000-175c2e0750705e1ef362 |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM9-18e (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901487 |
