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(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butanoic acid methyl ester
SpectraBase Compound ID 5LLlxDvo7hf
InChI InChI=1S/C23H28N6O6/c1-23(2,3)35-22(32)27-16(20(30)33-4)10-11-29-14-26-17-18(24-13-25-19(17)29)28-21(31)34-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,27,32)(H,24,25,28,31)/t16-/m0/s1
InChIKey LKJCPUCVFSJCBB-INIZCTEOSA-N
Mol Weight 484.51 g/mol
Molecular Formula C23H28N6O6
Exact Mass 484.207033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1X9LAwTsqI
Name (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butanoic acid methyl ester
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Formula C23H28N6O6
InChI InChI=1S/C23H28N6O6/c1-23(2,3)35-22(32)27-16(20(30)33-4)10-11-29-14-26-17-18(24-13-25-19(17)29)28-21(31)34-12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,27,32)(H,24,25,28,31)/t16-/m0/s1
InChIKey LKJCPUCVFSJCBB-INIZCTEOSA-N
Molecular Weight 484.513 g/mol
SMILES N(c1c2c([n](CC[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])cn2)ncn1)C(=O)OCc1ccccc1
SPLASH splash10-00vi-0955000000-cafa9dcfe25f08406b74
Source of Spectrum J-62-5447-13
Synonyms (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid methyl ester Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoate Methyl (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoate
Wiley ID 1395946