| SpectraBase Spectrum ID |
FCnIX6krKr6 |
| Name |
leu-trp, N-Ethoxycarbonyl-, methyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.210721041 u |
| Formula |
C21H29N3O5 |
| InChI |
InChI=1S/C21H29N3O5/c1-5-29-21(27)24-17(10-13(2)3)19(25)23-18(20(26)28-4)11-14-12-22-16-9-7-6-8-15(14)16/h6-9,12-13,17-18,22H,5,10-11H2,1-4H3,(H,23,25)(H,24,27) |
| InChIKey |
QDRMRZGOKXPSLB-UHFFFAOYSA-N |
| Molecular Weight |
403.479 g/mol |
| SMILES |
C1(=CNC2=C1C=CC=C2)CC(NC(C(CC(C)C)NC(OCC)=O)=O)C(=O)OC |
