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Methyl (2S)-2-[(2S)-2-T-butoxycarbonylaminohexadecanoylamino]propionate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (2S)-2-[(2S)-2-T-butoxycarbonylaminohexadecanoylamino]propionate
SpectraBase Compound ID DsbSFVXbN1m
InChI InChI=1S/C25H48N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27-24(30)32-25(3,4)5)22(28)26-20(2)23(29)31-6/h20-21H,7-19H2,1-6H3,(H,26,28)(H,27,30)/t20-,21-/m0/s1
InChIKey VFOMKTBDLJDTLV-SFTDATJTSA-N
Mol Weight 456.7 g/mol
Molecular Formula C25H48N2O5
Exact Mass 456.356323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQZc9jBn59C
Name Methyl (2S)-2-[(2S)-2-T-butoxycarbonylaminohexadecanoylamino]propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.356322649 u
Formula C25H48N2O5
InChI InChI=1S/C25H48N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27-24(30)32-25(3,4)5)22(28)26-20(2)23(29)31-6/h20-21H,7-19H2,1-6H3,(H,26,28)(H,27,30)/t20-,21-/m0/s1
InChIKey VFOMKTBDLJDTLV-SFTDATJTSA-N
Molecular Weight 456.668 g/mol
SMILES C(N[C@](C(N[C@](C(=O)OC)(C)[H])=O)(CCCCCCCCCCCCCC)[H])(OC(C)(C)C)=O