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L-Alanine, N-[N-[N-(4-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester

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L-Alanine, N-[N-[N-(4-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID CEHXLHBrj1I
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-9-11-23-12-10-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+
InChIKey PKTRKMXMGHQIDY-ZMOGYAJESA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H34N4O4
Exact Mass 418.258006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gGpAlzne8p
Name L-Alanine, N-[N-[N-(4-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.258005587 u
Formula C22H34N4O4
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-9-11-23-12-10-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+
InChIKey PKTRKMXMGHQIDY-ZMOGYAJESA-N
Molecular Weight 418.538 g/mol
SMILES C1=NC=CC(=C1)\C=N\[C@](C(N[C@](C(N[C@](C(OCC)=O)(C)[H])=O)([C@@](C)(CC)[H])[H])=O)(C(C)C)[H]