| SpectraBase Spectrum ID |
J5LpX7hd65g |
| Name |
(Z)-N-[N-Benzoyl-3-(N-tert-butoxycarbonyl-2-pyrrolyl)-.alpha.,.beta.-dehydroalanyl]leucine Methyl Ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.236935789 u |
| Formula |
C26H33N3O6 |
| InChI |
InChI=1S/C26H33N3O6/c1-17(2)15-21(24(32)34-6)28-23(31)20(27-22(30)18-11-8-7-9-12-18)16-19-13-10-14-29(19)25(33)35-26(3,4)5/h7-14,16-17,21H,15H2,1-6H3,(H,27,30)(H,28,31)/b20-16-/t21-/m0/s1 |
| InChIKey |
WWPYEVKGTAMDFF-LDETYFQJSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
483.565 g/mol |
| Optical Rotation |
[a]D = -20 (c = 0.25, CHCl3) |
| Quality |
13 |
| Reported Formula |
C26H33N3O6 |
| SMILES |
N(\C(C(N[C@](C(OC)=O)(CC(C)C)[H])=O)=C/C=1N(C=CC1)C(OC(C)(C)C)=O)C(=O)C=1C=CC=CC1 |
| SPLASH |
splash10-0a4i-0930000000-4be7441ee5b410ba336a |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM13-19h (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901495 |
![(Z)-N-[N-Benzoyl-3-(N-tert-butoxycarbonyl-2-pyrrolyl)-.alpha.,.beta.-dehydroalanyl]leucine Methyl Ester](/api/spectrum/J5LpX7hd65g/structure.png?h=300&w=458 "(Z)-N-[N-Benzoyl-3-(N-tert-butoxycarbonyl-2-pyrrolyl)-.alpha.,.beta.-dehydroalanyl]leucine Methyl Ester")
