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L-Leucine, N-[N-[N-(2-pyridinylmethylene)-L-leucyl]-L-leucyl]-, methyl ester
SpectraBase Compound ID 9g2MIm3VCVm
InChI InChI=1S/C25H40N4O4/c1-16(2)12-20(27-15-19-10-8-9-11-26-19)23(30)28-21(13-17(3)4)24(31)29-22(14-18(5)6)25(32)33-7/h8-11,15-18,20-22H,12-14H2,1-7H3,(H,28,30)(H,29,31)/b27-15+
InChIKey QYBKPHKIVLBXRY-JFLMPSFJSA-N
Mol Weight 460.6 g/mol
Molecular Formula C25H40N4O4
Exact Mass 460.304956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eFBxmQTgyE
Name L-Leucine, N-[N-[N-(2-pyridinylmethylene)-L-leucyl]-L-leucyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.304955780 u
Formula C25H40N4O4
InChI InChI=1S/C25H40N4O4/c1-16(2)12-20(27-15-19-10-8-9-11-26-19)23(30)28-21(13-17(3)4)24(31)29-22(14-18(5)6)25(32)33-7/h8-11,15-18,20-22H,12-14H2,1-7H3,(H,28,30)(H,29,31)/b27-15+
InChIKey QYBKPHKIVLBXRY-JFLMPSFJSA-N
Molecular Weight 460.619 g/mol
SMILES [C@](NC([C@@](\N=C\C1=CC=CC=N1)(CC(C)C)[H])=O)(C(N[C@](C(OC)=O)(CC(C)C)[H])=O)(CC(C)C)[H]