| SpectraBase Spectrum ID |
GkwT9gFKC8P |
| Name |
.Gamma.-glutamyl-(S)-allyl-L-cysteine, N-(N-propyloxycarbonyl)-, 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/c1-5-9-26-17(23)19-12(15(21)24-3)7-8-14(20)18-13(16(22)25-4)11-27-10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3,(H,18,20)(H,19,23) |
| InChIKey |
PMMMIERMMUZRAZ-UHFFFAOYSA-N |
| Molecular Weight |
404.478 g/mol |
| SMILES |
C(SCC=C)C(C(OC)=O)NC(=O)CCC(C(OC)=O)NC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860368 |
