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N-Acetyl-dipeptide methyl ester

View entire compound with spectra: 1 MS (GC)

N-Acetyl-dipeptide methyl ester
SpectraBase Compound ID 6rAcOb3W4GK
InChI InChI=1S/C17H24N2O4/c1-11(2)15(17(22)23-4)19-16(21)14(18-12(3)20)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,18,20)(H,19,21)/t14-,15-/m0/s1
InChIKey QBIRKQYTZFWPLE-GJZGRUSLSA-N
Mol Weight 320.39 g/mol
Molecular Formula C17H24N2O4
Exact Mass 320.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkWM1ROqq8I
Name N-Acetyl-dipeptide methyl ester
Alternate Name(s) (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid methyl ester Methyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-methylbutanoate Methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O4
InChI InChI=1S/C17H24N2O4/c1-11(2)15(17(22)23-4)19-16(21)14(18-12(3)20)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,18,20)(H,19,21)/t14-,15-/m0/s1
InChIKey QBIRKQYTZFWPLE-GJZGRUSLSA-N
Molecular Weight 320.389 g/mol
SMILES N(C([C@@](NC(=O)C)(Cc1ccccc1)[H])=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-03dl-8900000000-e90af8a5bf29b9c43282
Source of Spectrum K1-2004-4441-5
Wiley ID 1561767