For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

trp-phe, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2)

View entire compound with spectra: 1 NMR

trp-phe, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2)
SpectraBase Compound ID 7mUEAa4ctjG
InChI InChI=1S/C25H29N3O5/c1-3-13-33-25(31)28-21(15-18-16-26-20-12-8-7-11-19(18)20)23(29)27-22(24(30)32-2)14-17-9-5-4-6-10-17/h4-12,16,21-22,26H,3,13-15H2,1-2H3,(H,27,29)(H,28,31)
InChIKey RGEBKOFLSSAGLA-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C25H29N3O5
Exact Mass 451.210721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8KImwM5KMDz
Name trp-phe, N-(N-Propyloxycarbonyl)-, 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/c1-3-13-33-25(31)28-21(15-18-16-26-20-12-8-7-11-19(18)20)23(29)27-22(24(30)32-2)14-17-9-5-4-6-10-17/h4-12,16,21-22,26H,3,13-15H2,1-2H3,(H,27,29)(H,28,31)
InChIKey RGEBKOFLSSAGLA-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(OCCC)=O