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Ethyl-N-(benzyloxycarbonyl)-gamma-aminobutyrylglycylglycine
SpectraBase Compound ID 13TYThf3bHh
InChI InChI=1S/C18H25N3O6/c1-2-26-17(24)12-21-16(23)11-20-15(22)9-6-10-19-18(25)27-13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,25)(H,20,22)(H,21,23)
InChIKey PZPKRYBMNJPPRG-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C18H25N3O6
Exact Mass 379.174336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3KroolH0la
Name Ethyl-N-(benzyloxycarbonyl)-gamma-aminobutyrylglycylglycine
Comments Computed using HOSE algorithm
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Exact Mass 379.174335531 u
Formula C18H25N3O6
InChI InChI=1S/C18H25N3O6/c1-2-26-17(24)12-21-16(23)11-20-15(22)9-6-10-19-18(25)27-13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,25)(H,20,22)(H,21,23)
InChIKey PZPKRYBMNJPPRG-UHFFFAOYSA-N
Molecular Weight 379.413 g/mol
SMILES C(NCC(=O)OCC)(CNC(CCCNC(=O)OCC=1C=CC=CC1)=O)=O