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N-(N-carboxy-L-isoleucyl)-L-3-phenylalanine, N-benzyl ester

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N-(N-carboxy-L-isoleucyl)-L-3-phenylalanine, N-benzyl ester
SpectraBase Compound ID ElVwhcN2YBh
InChI InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1
InChIKey ARWIWKBRNYMFJM-VDGAXYAQSA-N
Mol Weight 412.49 g/mol
Molecular Formula C23H28N2O5
Exact Mass 412.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID f9HhjO89fc
Name N-(N-CARBOXY-L-ISOLEUCYL)-L-3-PHENYLALANINE, N-BENZYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O5
InChI InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1
InChIKey ARWIWKBRNYMFJM-VDGAXYAQSA-N
Molecular Weight 412.49
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ALANINE, N-/N-CARBOXY-L-ISOLEUCYL/- L-3-PHENYL-, N-BENZYL ESTER