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N-[3-(benzylthio)-N-carboxyalanyl]tyrosine, N-benzyl ester

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N-[3-(benzylthio)-N-carboxyalanyl]tyrosine, N-benzyl ester
SpectraBase Compound ID IOHvgbpayPD
InChI InChI=1S/C27H28N2O6S/c30-22-13-11-19(12-14-22)15-23(26(32)33)28-25(31)24(18-36-17-21-9-5-2-6-10-21)29-27(34)35-16-20-7-3-1-4-8-20/h1-14,23-24,30H,15-18H2,(H,28,31)(H,29,34)(H,32,33)
InChIKey SZPVITTWZIPPKT-UHFFFAOYSA-N
Mol Weight 508.59 g/mol
Molecular Formula C27H28N2O6S
Exact Mass 508.166808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PzuYAw4nIu
Name N-[3-(BENZYLTHIO)-N-CARBOXYALANYL]TYROSINE, N-BENZYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O6S
InChI InChI=1S/C27H28N2O6S/c30-22-13-11-19(12-14-22)15-23(26(32)33)28-25(31)24(18-36-17-21-9-5-2-6-10-21)29-27(34)35-16-20-7-3-1-4-8-20/h1-14,23-24,30H,15-18H2,(H,28,31)(H,29,34)(H,32,33)
InChIKey SZPVITTWZIPPKT-UHFFFAOYSA-N
Molecular Weight 508.60
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TYROSINE, N-/3-/BENZYLTHIO/- N-CARBOXYALANYL/-, N-BENZYL ESTER