| SpectraBase Spectrum ID |
GI8DMop8iGO |
| Name |
(Z)-N-[2-N-Benzoyl-5-N-benzyloxycarbonyl-.alpha.,.beta.-dehydroornithyl]-L-leucine Methyl Ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.236935789 u |
| Formula |
C27H33N3O6 |
| InChI |
InChI=1S/C27H33N3O6/c1-19(2)17-23(26(33)35-3)30-25(32)22(29-24(31)21-13-8-5-9-14-21)15-10-16-28-27(34)36-18-20-11-6-4-7-12-20/h4-9,11-15,19,23H,10,16-18H2,1-3H3,(H,28,34)(H,29,31)(H,30,32)/b22-15-/t23-/m0/s1 |
| InChIKey |
NRQADRKOVZFGIZ-AMCKHAKVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
495.576 g/mol |
| Optical Rotation |
[a]D = -11 (c = 0.10, CHCl3) |
| Quality |
45 |
| Reported Formula |
C27H33N3O6 |
| SMILES |
N(CC\C=C/(C(N[C@](C(OC)=O)(CC(C)C)[H])=O)NC(=O)C=1C=CC=CC1)C(OCC1=CC=CC=C1)=O |
| SPLASH |
splash10-0a4l-8900000000-34942a7e2285ff0e13ad |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM11-19e (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901493 |
![(Z)-N-[2-N-Benzoyl-5-N-benzyloxycarbonyl-.alpha.,.beta.-dehydroornithyl]-L-leucine Methyl Ester](/api/spectrum/GI8DMop8iGO/structure.png?h=300&w=458 "(Z)-N-[2-N-Benzoyl-5-N-benzyloxycarbonyl-.alpha.,.beta.-dehydroornithyl]-L-leucine Methyl Ester")
