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(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butanoic acid methyl ester
SpectraBase Compound ID CsFmmzzGLUE
InChI InChI=1S/C22H28N4O7/c1-22(2,3)33-21(30)23-16(18(27)31-4)10-12-26-13-11-17(24-19(26)28)25-20(29)32-14-15-8-6-5-7-9-15/h5-9,11,13,16H,10,12,14H2,1-4H3,(H,23,30)(H,24,25,28,29)/t16-/m0/s1
InChIKey CEBAMBIARZNEOB-INIZCTEOSA-N
Mol Weight 460.49 g/mol
Molecular Formula C22H28N4O7
Exact Mass 460.195799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZzAcGWCYxW
Name (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butanoic acid methyl ester
Alternate Name(s) (2S)-4-[4-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoate Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoate Methyl (2S)-4-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butanoate
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Formula C22H28N4O7
InChI InChI=1S/C22H28N4O7/c1-22(2,3)33-21(30)23-16(18(27)31-4)10-12-26-13-11-17(24-19(26)28)25-20(29)32-14-15-8-6-5-7-9-15/h5-9,11,13,16H,10,12,14H2,1-4H3,(H,23,30)(H,24,25,28,29)/t16-/m0/s1
InChIKey CEBAMBIARZNEOB-INIZCTEOSA-N
Molecular Weight 460.487 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CCN1C(N=C(C=C1)NC(=O)OCc1ccccc1)=O)(C(=O)OC)[H]
SPLASH splash10-0fbl-0004900000-26f3eca505ca0f303af0
Source of Spectrum J-62-5447-9
Wiley ID 1390425