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L-Isoleucyl-L-alanine, N-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID 76VcXO2SKBp
InChI InChI=1S/C19H36N2O5/c1-7-9-10-11-25-18(23)15(6)20-17(22)16(14(5)8-2)21-19(24)26-12-13(3)4/h13-16H,7-12H2,1-6H3,(H,20,22)(H,21,24)
InChIKey WEQGXXWFHSXMJR-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C19H36N2O5
Exact Mass 372.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnPb3Y7uJS5
Name L-Isoleucyl-L-alanine, N-isobutoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-7-9-10-11-25-18(23)15(6)20-17(22)16(14(5)8-2)21-19(24)26-12-13(3)4/h13-16H,7-12H2,1-6H3,(H,20,22)(H,21,24)
InChIKey WEQGXXWFHSXMJR-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES CC(COC(NC(C(NC(C)C(OCCCCC)=O)=O)C(CC)C)=O)C