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

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trp-phe, N-(Methoxycarbonyl)-, methyl ester (isomer 2)
SpectraBase Compound ID BUBgdDJQOCa
InChI InChI=1S/C23H25N3O5/c1-30-22(28)20(12-15-8-4-3-5-9-15)25-21(27)19(26-23(29)31-2)13-16-14-24-18-11-7-6-10-17(16)18/h3-11,14,19-20,24H,12-13H2,1-2H3,(H,25,27)(H,26,29)
InChIKey YPFBPRCSENSHAU-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C23H25N3O5
Exact Mass 423.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYaEAA1G5wx
Name trp-phe, N-(Methoxycarbonyl)-, methyl ester (isomer 2)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.179420912 u
Formula C23H25N3O5
InChI InChI=1S/C23H25N3O5/c1-30-22(28)20(12-15-8-4-3-5-9-15)25-21(27)19(26-23(29)31-2)13-16-14-24-18-11-7-6-10-17(16)18/h3-11,14,19-20,24H,12-13H2,1-2H3,(H,25,27)(H,26,29)
InChIKey YPFBPRCSENSHAU-UHFFFAOYSA-N
Molecular Weight 423.469 g/mol
SMILES C1(=CNC2=C1C=CC=C2)CC(C(NC(C(=O)OC)CC1=CC=CC=C1)=O)NC(OC)=O