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(2S)-4-[2-amino-6-(2-nitrophenoxy)-9-purinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester
SpectraBase Compound ID 1dB6u2dzD2y
InChI InChI=1S/C21H25N7O7/c1-21(2,3)35-20(30)24-12(18(29)33-4)9-10-27-11-23-15-16(27)25-19(22)26-17(15)34-14-8-6-5-7-13(14)28(31)32/h5-8,11-12H,9-10H2,1-4H3,(H,24,30)(H2,22,25,26)/t12-/m0/s1
InChIKey DYVIUUNSHMQAFO-LBPRGKRZSA-N
Mol Weight 487.47 g/mol
Molecular Formula C21H25N7O7
Exact Mass 487.181546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TjzPRkSYVe
Name (2S)-4-[2-amino-6-(2-nitrophenoxy)-9-purinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester
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Formula C21H25N7O7
InChI InChI=1S/C21H25N7O7/c1-21(2,3)35-20(30)24-12(18(29)33-4)9-10-27-11-23-15-16(27)25-19(22)26-17(15)34-14-8-6-5-7-13(14)28(31)32/h5-8,11-12H,9-10H2,1-4H3,(H,24,30)(H2,22,25,26)/t12-/m0/s1
InChIKey DYVIUUNSHMQAFO-LBPRGKRZSA-N
Molecular Weight 487.473 g/mol
SMILES Nc1nc(c2c([n](CC[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])cn2)n1)Oc1c(N(=O)=O)cccc1
SPLASH splash10-000i-0091200000-3feedca9fca888b6b4a1
Source of Spectrum J-62-5447-17
Synonyms (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Methyl (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoate Methyl (2S)-4-[2-amino-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Methyl (2S)-4-[2-azanyl-6-(2-nitrophenoxy)purin-9-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Wiley ID 1396669