| SpectraBase Spectrum ID |
4j4h60weNaE |
| Name |
trp-phe, N-(Isopropyloxycarbonyl)-, methyl ester (isomer 2) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.210721041 u |
| Formula |
C25H29N3O5 |
| InChI |
InChI=1S/C25H29N3O5/c1-16(2)33-25(31)28-21(14-18-15-26-20-12-8-7-11-19(18)20)23(29)27-22(24(30)32-3)13-17-9-5-4-6-10-17/h4-12,15-16,21-22,26H,13-14H2,1-3H3,(H,27,29)(H,28,31) |
| InChIKey |
UCNUSQZJNYVWDC-UHFFFAOYSA-N |
| Molecular Weight |
451.523 g/mol |
| SMILES |
C1(=CNC2=C1C=CC=C2)CC(C(NC(C(=O)OC)CC1=CC=CC=C1)=O)NC(OC(C)C)=O |
