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Tyrosine, N-(N-carboxy-L-leucyl)-, N-tert-butyl methyl ester, L-
SpectraBase Compound ID HqITCq1f1GB
InChI InChI=1S/C21H32N2O6/c1-13(2)11-16(23-20(27)29-21(3,4)5)18(25)22-17(19(26)28-6)12-14-7-9-15(24)10-8-14/h7-10,13,16-17,24H,11-12H2,1-6H3,(H,22,25)(H,23,27)
InChIKey UXUZVOBQZVYOPJ-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C21H32N2O6
Exact Mass 408.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqlreJG9PVF
Name Tyrosine, N-(N-carboxy-L-leucyl)-, N-tert-butyl methyl ester, L-
Comments Computed using HOSE algorithm
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Exact Mass 408.226036752 u
Formula C21H32N2O6
InChI InChI=1S/C21H32N2O6/c1-13(2)11-16(23-20(27)29-21(3,4)5)18(25)22-17(19(26)28-6)12-14-7-9-15(24)10-8-14/h7-10,13,16-17,24H,11-12H2,1-6H3,(H,22,25)(H,23,27)
InChIKey UXUZVOBQZVYOPJ-UHFFFAOYSA-N
Molecular Weight 408.495 g/mol
SMILES C(CC1=CC=C(C=C1)O)(NC(C(NC(OC(C)(C)C)=O)CC(C)C)=O)C(OC)=O