| SpectraBase Spectrum ID |
Ak7o6uzUlHt |
| Name |
(Z)-N-[N-Benzoyl-3-((S)-N-tert-butoxycarbonyl-2-pyrrolidinyl)-.alpha.,.beta.-dehydroalanyl]-L-leucine Methyl Ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.268235917 u |
| Formula |
C26H37N3O6 |
| InChI |
InChI=1S/C26H37N3O6/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/h7-9,11-12,16-17,19,21H,10,13-15H2,1-6H3,(H,27,30)(H,28,31)/b20-16-/t19-,21-/m0/s1 |
| InChIKey |
YBIIFHDEVUIOIL-XKHWWQQASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
487.597 g/mol |
| Optical Rotation |
[a]D = -5 (c = 0.33, CHCl3) |
| Quality |
43 |
| Reported Formula |
C26H37N3O6 |
| SMILES |
N(\C(C(N[C@](C(OC)=O)(CC(C)C)[H])=O)=C/[C@]1(N(CCC1)C(OC(C)(C)C)=O)[H])C(=O)C=1C=CC=CC1 |
| SPLASH |
splash10-0a4i-0903000000-c3b51eda056bbbafb2ba |
| Sample Comments |
Z/E > 90:10 |
| Source of Spectrum |
QE-24-SM12-19g (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901494 |
![(Z)-N-[N-Benzoyl-3-((S)-N-tert-butoxycarbonyl-2-pyrrolidinyl)-.alpha.,.beta.-dehydroalanyl]-L-leucine Methyl Ester](/api/spectrum/Ak7o6uzUlHt/structure.png?h=300&w=458 "(Z)-N-[N-Benzoyl-3-((S)-N-tert-butoxycarbonyl-2-pyrrolidinyl)-.alpha.,.beta.-dehydroalanyl]-L-leucine Methyl Ester")
