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L-Alanine, N-[N-[N-(2-naphthalenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester

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L-Alanine, N-[N-[N-(2-naphthalenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID I6kw0Nn0eeR
InChI InChI=1S/C27H37N3O4/c1-7-18(5)24(26(32)29-19(6)27(33)34-8-2)30-25(31)23(17(3)4)28-16-20-13-14-21-11-9-10-12-22(21)15-20/h9-19,23-24H,7-8H2,1-6H3,(H,29,32)(H,30,31)/b28-16+
InChIKey PCTRHXWQAAHZCE-LQKURTRISA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H37N3O4
Exact Mass 467.278407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Syd2D5AZvl
Name L-Alanine, N-[N-[N-(2-naphthalenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.278406679 u
Formula C27H37N3O4
InChI InChI=1S/C27H37N3O4/c1-7-18(5)24(26(32)29-19(6)27(33)34-8-2)30-25(31)23(17(3)4)28-16-20-13-14-21-11-9-10-12-22(21)15-20/h9-19,23-24H,7-8H2,1-6H3,(H,29,32)(H,30,31)/b28-16+
InChIKey PCTRHXWQAAHZCE-LQKURTRISA-N
Molecular Weight 467.610 g/mol
SMILES C1(\C=N\[C@](C(N[C@](C(N[C@](C(OCC)=O)(C)[H])=O)([C@](CC)(C)[H])[H])=O)(C(C)C)[H])=CC2=C(C=C1)C=CC=C2