| SpectraBase Spectrum ID |
jHmmECu2vF |
| Name |
leu-trp, N-(Methoxycarbonyl)-, ethyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.226371105 u |
| Formula |
C22H31N3O5 |
| InChI |
InChI=1S/C22H31N3O5/c1-5-29-21(27)19(12-15-13-23-17-10-8-7-9-16(15)17)24-20(26)18(11-14(3)4)25-22(28)30-6-2/h7-10,13-14,18-19,23H,5-6,11-12H2,1-4H3,(H,24,26)(H,25,28) |
| InChIKey |
URXUWASARNQVPR-UHFFFAOYSA-N |
| Molecular Weight |
417.506 g/mol |
| SMILES |
C1(=CNC2=C1C=CC=C2)CC(NC(C(CC(C)C)NC(OCC)=O)=O)C(=O)OCC |
