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N-(N-carboxy-L-methionyl)-L-alanine, N-benzyl ester

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

N-(N-carboxy-L-methionyl)-L-alanine, N-benzyl ester
SpectraBase Compound ID 4O5HQSmQG9B
InChI InChI=1S/C16H22N2O5S/c1-11(15(20)21)17-14(19)13(8-9-24-2)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChIKey WNPCADDTHHEWIB-AAEUAGOBSA-N
Mol Weight 354.42 g/mol
Molecular Formula C16H22N2O5S
Exact Mass 354.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wOc92EW3on
Name N-(N-CARBOXY-L-METHIONYL)-L-ALANINE, N-BENZYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O5S
InChI InChI=1S/C16H22N2O5S/c1-11(15(20)21)17-14(19)13(8-9-24-2)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChIKey WNPCADDTHHEWIB-AAEUAGOBSA-N
Instrument Name BRUKER AC-300
Molecular Weight 354.43
Solvent DMSO-d6; Reference=TMS; Temperature 297K