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(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-phenylpropanoic acid tert-butyl ester

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(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-phenylpropanoic acid tert-butyl ester
SpectraBase Compound ID DFREahxRYn6
InChI InChI=1S/C16H24N2O3/c1-11(17)14(19)18-13(15(20)21-16(2,3)4)10-12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,19)/t11-,13-/m0/s1
InChIKey GGSUVXPMGVXIAW-AAEUAGOBSA-N
Mol Weight 292.38 g/mol
Molecular Formula C16H24N2O3
Exact Mass 292.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmWWjelGxBr
Name (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-phenylpropanoic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.178692638 u
Formula C16H24N2O3
InChI InChI=1S/C16H24N2O3/c1-11(17)14(19)18-13(15(20)21-16(2,3)4)10-12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,19)/t11-,13-/m0/s1
InChIKey GGSUVXPMGVXIAW-AAEUAGOBSA-N
SMILES C([C@@](NC([C@@](N)(C)[H])=O)(CC=1C=CC=CC1)[H])(=O)OC(C)(C)C