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2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)butanoyl]amino]acetic acid ethyl ester
SpectraBase Compound ID Jk2ZjzoKojg
InChI InChI=1S/C18H28N4O7/c1-6-28-13(23)9-19-15(25)12(20-17(27)29-18(3,4)5)7-8-22-10-11(2)14(24)21-16(22)26/h10,12H,6-9H2,1-5H3,(H,19,25)(H,20,27)(H,21,24,26)/t12-/m0/s1
InChIKey RMVSIJGOXWAMDM-LBPRGKRZSA-N
Mol Weight 412.44 g/mol
Molecular Formula C18H28N4O7
Exact Mass 412.195799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92NMeHC6h2c
Name 2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)butanoyl]amino]acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N4O7
InChI InChI=1S/C18H28N4O7/c1-6-28-13(23)9-19-15(25)12(20-17(27)29-18(3,4)5)7-8-22-10-11(2)14(24)21-16(22)26/h10,12H,6-9H2,1-5H3,(H,19,25)(H,20,27)(H,21,24,26)/t12-/m0/s1
InChIKey RMVSIJGOXWAMDM-LBPRGKRZSA-N
Molecular Weight 412.443 g/mol
SMILES N1C(C(=CN(CC[C@@](C(NCC(=O)OCC)=O)(NC(OC(C)(C)C)=O)[H])C1=O)C)=O
SPLASH splash10-0059-0940100000-66da616548e1e1cd43b3
Source of Spectrum J-62-5448-21
Synonyms 2-[[(2S)-4-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]acetic acid ethyl ester Ethyl 2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butanoyl]amino]acetate Ethyl 2-[[(2S)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetate Ethyl 2-[[(2S)-4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]ethanoate
Wiley ID 1374293