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dl-Leucine, N-[N-[1-[N-(1-oxodecyl)glycyl]-dl-prolyl]-dl-tryptophyl]-, methyl ester
SpectraBase Compound ID 5v7oGdHJYDo
InChI InChI=1S/C35H53N5O6/c1-5-6-7-8-9-10-11-18-31(41)37-23-32(42)40-19-14-17-30(40)34(44)38-28(21-25-22-36-27-16-13-12-15-26(25)27)33(43)39-29(20-24(2)3)35(45)46-4/h12-13,15-16,22,24,28-30,36H,5-11,14,17-21,23H2,1-4H3,(H,37,41)(H,38,44)(H,39,43)
InChIKey FWZUUNAMCYNOMK-UHFFFAOYSA-N
Mol Weight 639.8 g/mol
Molecular Formula C35H53N5O6
Exact Mass 639.399584 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KckdjZEYidA
Name dl-Leucine, N-[N-[1-[N-(1-oxodecyl)glycyl]-dl-prolyl]-dl-tryptophyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 639.399584441 u
Formula C35H53N5O6
InChI InChI=1S/C35H53N5O6/c1-5-6-7-8-9-10-11-18-31(41)37-23-32(42)40-19-14-17-30(40)34(44)38-28(21-25-22-36-27-16-13-12-15-26(25)27)33(43)39-29(20-24(2)3)35(45)46-4/h12-13,15-16,22,24,28-30,36H,5-11,14,17-21,23H2,1-4H3,(H,37,41)(H,38,44)(H,39,43)
InChIKey FWZUUNAMCYNOMK-UHFFFAOYSA-N
Molecular Weight 639.838 g/mol
SMILES C(CC=1C2=C(C=CC=C2)NC1)(NC(=O)C1N(C(CNC(CCCCCCCCC)=O)=O)CCC1)C(NC(C(OC)=O)CC(C)C)=O
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