| SpectraBase Spectrum ID |
D9PSQhQzCdm |
| Name |
Methyl 2-(N-benzyloxycarbonyl-N-cinnamylamino)-4-(methyloxosulfanyl)butanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.160994142 u |
| Formula |
C23H27NO5S |
| InChI |
InChI=1S/C23H27NO5S/c1-28-22(25)21(15-17-30(2)27)24(16-9-14-19-10-5-3-6-11-19)23(26)29-18-20-12-7-4-8-13-20/h3-14,21H,15-18H2,1-2H3/b14-9+/t21-,30?/m0/s1 |
| InChIKey |
WCCPOAJTEIGUOF-HEDFGJSZSA-N |
| Molecular Weight |
429.531 g/mol |
| SMILES |
C(N([C@](C(=O)OC)(CCS(=O)C)[H])C\C=C\C1=CC=CC=C1)(OCC=1C=CC=CC1)=O |
