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(2S)-4-(2-amino-6-chloro-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester
SpectraBase Compound ID HZbJonsmWAq
InChI InChI=1S/C15H21ClN6O4/c1-15(2,3)26-14(24)19-8(12(23)25-4)5-6-22-7-18-9-10(16)20-13(17)21-11(9)22/h7-8H,5-6H2,1-4H3,(H,19,24)(H2,17,20,21)/t8-/m0/s1
InChIKey PSQJCHQUCLIUKT-QMMMGPOBSA-N
Mol Weight 384.82 g/mol
Molecular Formula C15H21ClN6O4
Exact Mass 384.131281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSiSmMulaZd
Name (2S)-4-(2-amino-6-chloro-9-purinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester
Alternate Name(s) (2S)-4-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)butyric acid methyl ester Methyl (2S)-4-(2-amino-6-chloro-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoate Methyl (2S)-4-(2-amino-6-chloropurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Methyl (2S)-4-(2-azanyl-6-chloranyl-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Formula C15H21ClN6O4
InChI InChI=1S/C15H21ClN6O4/c1-15(2,3)26-14(24)19-8(12(23)25-4)5-6-22-7-18-9-10(16)20-13(17)21-11(9)22/h7-8H,5-6H2,1-4H3,(H,19,24)(H2,17,20,21)/t8-/m0/s1
InChIKey PSQJCHQUCLIUKT-QMMMGPOBSA-N
Molecular Weight 384.824 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CC[n]1c2c(c(nc(n2)N)Cl)nc1)(C(=O)OC)[H]
SPLASH splash10-01x1-5669000000-0951e8c0e5646c9edbe3
Source of Spectrum J-62-5447-16
Wiley ID 1361304