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p-Toluenesulfonyl-tyrosyl-S-methylcysteine, ethyl ester

View entire compound with spectra: 1 NMR

p-Toluenesulfonyl-tyrosyl-S-methylcysteine, ethyl ester
SpectraBase Compound ID Ek7jovj3L6y
InChI InChI=1S/C22H28N2O6S2/c1-4-30-22(27)20(14-31-3)23-21(26)19(13-16-7-9-17(25)10-8-16)24-32(28,29)18-11-5-15(2)6-12-18/h5-12,19-20,24-25H,4,13-14H2,1-3H3,(H,23,26)
InChIKey IMSTYBJZGATGKE-UHFFFAOYSA-N
Mol Weight 480.59 g/mol
Molecular Formula C22H28N2O6S2
Exact Mass 480.138879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ne667brzf4
Name p-Toluenesulfonyl-tyrosyl-S-methylcysteine, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.138878972 u
Formula C22H28N2O6S2
InChI InChI=1S/C22H28N2O6S2/c1-4-30-22(27)20(14-31-3)23-21(26)19(13-16-7-9-17(25)10-8-16)24-32(28,29)18-11-5-15(2)6-12-18/h5-12,19-20,24-25H,4,13-14H2,1-3H3,(H,23,26)
InChIKey IMSTYBJZGATGKE-UHFFFAOYSA-N
Molecular Weight 480.594 g/mol
SMILES C1=C(C=CC(=C1)C)S(=O)(=O)NC(C(NC(CSC)C(OCC)=O)=O)CC1=CC=C(C=C1)O