| SpectraBase Spectrum ID |
HXWy5uMgCM8 |
| Name |
trp-phe, N-Ethoxycarbonyl-, methyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.195070976 u |
| Formula |
C24H27N3O5 |
| InChI |
InChI=1S/C24H27N3O5/c1-3-32-24(30)27-20(14-17-15-25-19-12-8-7-11-18(17)19)22(28)26-21(23(29)31-2)13-16-9-5-4-6-10-16/h4-12,15,20-21,25H,3,13-14H2,1-2H3,(H,26,28)(H,27,30) |
| InChIKey |
WRHGDIZSDBPGLX-UHFFFAOYSA-N |
| Molecular Weight |
437.496 g/mol |
| SMILES |
C1(=CNC2=C1C=CC=C2)CC(C(NC(C(=O)OC)CC1=CC=CC=C1)=O)NC(OCC)=O |
