| SpectraBase Spectrum ID |
ErykSIXaDsV |
| Name |
(Z)-N-(N-Benzoyl-.alpha.,.beta.-dehydro-5-(phenyl)norvalinyl)-L-leucine Methyl Ester |
| Appearance |
Crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.220557450 u |
| Formula |
C25H30N2O4 |
| InChI |
InChI=1S/C25H30N2O4/c1-18(2)17-22(25(30)31-3)27-24(29)21(16-10-13-19-11-6-4-7-12-19)26-23(28)20-14-8-5-9-15-20/h4-9,11-12,14-16,18,22H,10,13,17H2,1-3H3,(H,26,28)(H,27,29)/b21-16-/t22-/m0/s1 |
| InChIKey |
BLVYPGUDBNIMHB-DYEBDLIZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201703758 |
| Molecular Weight |
422.525 g/mol |
| Optical Rotation |
[a]D = -7 (c = 0.11, CHCl3) |
| Quality |
50 |
| Reported Formula |
C25H30N2O4 |
| SMILES |
N(C(\C(NC(C1=CC=CC=C1)=O)=C/CCC1=CC=CC=C1)=O)[C@@](CC(C)C)(C(=O)OC)[H] |
| SPLASH |
splash10-0006-9400000000-c7ef56dbd7d3730cc2dd |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
QE-24-SM10-19b (DOI: 10.1002/chem.201703758) |
| Wiley ID |
1901491 |
