| SpectraBase Spectrum ID |
CE58phzBEdj |
| Name |
(Z)-(N-Benzyloxycarbonyl-L-leucyl-L-leucyl)-.alpha.,.beta.-dehydroleucine methyl ester |
| Appearance |
Syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.299536046 u |
| Formula |
C27H41N3O6 |
| InChI |
InChI=1S/C27H41N3O6/c1-17(2)13-21(24(31)29-23(15-19(5)6)26(33)35-7)28-25(32)22(14-18(3)4)30-27(34)36-16-20-11-9-8-10-12-20/h8-12,15,17-19,21-22H,13-14,16H2,1-7H3,(H,28,32)(H,29,31)(H,30,34)/b23-15-/t21-,22-/m0/s1 |
| InChIKey |
NUKKOYFBKYDXPG-BYYARECASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
503.640 g/mol |
| Optical Rotation |
[a]D = -55 (c = 0.76, CHCl3) |
| Quality |
41 |
| Reported Formula |
C27H41N3O6 |
| SMILES |
N(C([C@@](NC(=O)OCC1=CC=CC=C1)(CC(C)C)[H])=O)[C@](C(=O)N\C(C(OC)=O)=C/C(C)C)(CC(C)C)[H] |
| SPLASH |
splash10-0006-9000000000-501520f8c19eeed62fc7 |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-604-17a (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901476 |
