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L-Tyrosine, N-(N-acetyl-L-leucyl)-, butyl ester
SpectraBase Compound ID JM5GISsijtc
InChI InChI=1S/C21H32N2O5/c1-5-6-11-28-21(27)19(13-16-7-9-17(25)10-8-16)23-20(26)18(12-14(2)3)22-15(4)24/h7-10,14,18-19,25H,5-6,11-13H2,1-4H3,(H,22,24)(H,23,26)
InChIKey UUBMYIILYWHUQX-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gTnqShZAGz
Name L-Tyrosine, N-(N-acetyl-L-leucyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.231122133 u
Formula C21H32N2O5
InChI InChI=1S/C21H32N2O5/c1-5-6-11-28-21(27)19(13-16-7-9-17(25)10-8-16)23-20(26)18(12-14(2)3)22-15(4)24/h7-10,14,18-19,25H,5-6,11-13H2,1-4H3,(H,22,24)(H,23,26)
InChIKey UUBMYIILYWHUQX-UHFFFAOYSA-N
Molecular Weight 392.496 g/mol
SMILES [C@](CC1=CC=C(C=C1)O)(NC([C@](CC(C)C)(NC(C)=O)[H])=O)(C(OCCCC)=O)[H]