| SpectraBase Spectrum ID |
793fTSaCmlE |
| Name |
3-(2-Tert-butoxycarbonylamino-4-methylsulfanyl-butyrylamino)-3-phenyl-propionic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.187543243 u |
| Formula |
C20H30N2O5S |
| InChI |
InChI=1S/C20H30N2O5S/c1-20(2,3)27-19(25)22-15(11-12-28-5)18(24)21-16(13-17(23)26-4)14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,21,24)(H,22,25) |
| InChIKey |
AGOJKDVFUDYNNH-UHFFFAOYSA-N |
| Molecular Weight |
410.529 g/mol |
| SMILES |
C(NC(C(NC(CC(=O)OC)C1=CC=CC=C1)=O)CCSC)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870541 |
