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N-[(5-bromoindol-3-yl)glyoxyloyl]-3-(indol-3-yl)alanine, ethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

N-[(5-bromoindol-3-yl)glyoxyloyl]-3-(indol-3-yl)alanine, ethyl ester
SpectraBase Compound ID 35apKTITr8v
InChI InChI=1S/C23H20BrN3O4/c1-2-31-23(30)20(9-13-11-25-18-6-4-3-5-15(13)18)27-22(29)21(28)17-12-26-19-8-7-14(24)10-16(17)19/h3-8,10-12,20,25-26H,2,9H2,1H3,(H,27,29)
InChIKey HFGJIAWXVCBWJD-UHFFFAOYSA-N
Mol Weight 482.33 g/mol
Molecular Formula C23H20BrN3O4
Exact Mass 481.063719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKA0FPBzS85
Name N-[(5-Bromoindol-3-yl)glyoxyloyl]-3-(indol-3-yl)alanine, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.063719132 u
Formula C23H20BrN3O4
InChI InChI=1S/C23H20BrN3O4/c1-2-31-23(30)20(9-13-11-25-18-6-4-3-5-15(13)18)27-22(29)21(28)17-12-26-19-8-7-14(24)10-16(17)19/h3-8,10-12,20,25-26H,2,9H2,1H3,(H,27,29)
InChIKey HFGJIAWXVCBWJD-UHFFFAOYSA-N
Molecular Weight 482.334 g/mol
SMILES N1C=2C=CC(=CC2C(C(C(NC(CC=2C=3C=CC=CC3NC2)C(OCC)=O)=O)=O)=C1)Br