| SpectraBase Spectrum ID |
EsbQxYP7Klf |
| Name |
.Gamma.-glutamyl-(S)-allyl-L-cysteine, N-isopropyloxycarbonyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.161722417 u |
| Formula |
C17H28N2O7S |
| InChI |
InChI=1S/C17H28N2O7S/c1-6-9-27-10-13(16(22)25-5)18-14(20)8-7-12(15(21)24-4)19-17(23)26-11(2)3/h6,11-13H,1,7-10H2,2-5H3,(H,18,20)(H,19,23) |
| InChIKey |
KQWQVXGBSZLWJR-UHFFFAOYSA-N |
| Molecular Weight |
404.478 g/mol |
| SMILES |
C(SCC=C)C(C(OC)=O)NC(=O)CCC(C(OC)=O)NC(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900108 |
