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L-Isoleucyl-L-tyrosine, N,o,o-tris-methyl

View entire compound with spectra: 1 NMR

L-Isoleucyl-L-tyrosine, N,o,o-tris-methyl
SpectraBase Compound ID 2PNLDcG2u3x
InChI InChI=1S/C18H28N2O4/c1-6-12(2)16(19-3)17(21)20-15(18(22)24-5)11-13-7-9-14(23-4)10-8-13/h7-10,12,15-16,19H,6,11H2,1-5H3,(H,20,21)/t12-,15-,16-/m0/s1
InChIKey YOBIHZIYZZHIBJ-RCBQFDQVSA-N
Mol Weight 336.43 g/mol
Molecular Formula C18H28N2O4
Exact Mass 336.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3wkeEg0C4
Name L-Isoleucyl-L-tyrosine, N,o,o-tris-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.204907386 u
Formula C18H28N2O4
InChI InChI=1S/C18H28N2O4/c1-6-12(2)16(19-3)17(21)20-15(18(22)24-5)11-13-7-9-14(23-4)10-8-13/h7-10,12,15-16,19H,6,11H2,1-5H3,(H,20,21)/t12-,15-,16-/m0/s1
InChIKey YOBIHZIYZZHIBJ-RCBQFDQVSA-N
Molecular Weight 336.432 g/mol
SMILES C([C@@](NC([C@@](NC)([C@](CC)(C)[H])[H])=O)(CC1=CC=C(OC)C=C1)[H])(=O)OC