(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 Google Search
Mol Weight	487.47 g/mol
Molecular Formula	C21H25N7O7
Exact Mass	487.181546 g/mol

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SpectraBase Spectrum ID	4yV3UYujNp2
Name	(2S)-4-[2-Amino-6-(2-nitrophenoxy)-9-purinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	487.181546166 u
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	C1=2C(=NC(=NC2OC=2C(N(=O)=O)=CC=CC2)N)N(CC[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])C=N1