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(2S)-2-[[4-[[(4-keto-6-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-yl)amino]methyl]benzoyl]amino]glutaric acid diethyl ester
SpectraBase Compound ID 9sO3pllZBLP
InChI InChI=1S/C23H28N6O6/c1-4-34-17(30)11-10-16(23(33)35-5-2)27-21(31)15-8-6-14(7-9-15)12-24-19-18-20(29-28-19)25-13(3)26-22(18)32/h6-9,16H,4-5,10-12H2,1-3H3,(H,27,31)(H3,24,25,26,28,29,32)/t16-/m0/s1
InChIKey ZSORNOIAFSHPET-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 Hip3QDU9efa
Name (2S)-2-[[4-[[(4-keto-6-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-yl)amino]methyl]benzoyl]amino]glutaric acid diethyl ester
Alternate Name(s) (2S)-2-[[[4-[[(6-methyl-4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl (2S)-2-[[4-[[(6-methyl-4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-yl)amino]methyl]phenyl]carbonylamino]pentanedioate Diethyl (2S)-2-[[4-[[(6-methyl-4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-yl)amino]methyl]benzoyl]amino]pentanedioate
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Formula C23H28N6O6
InChI InChI=1S/C23H28N6O6/c1-4-34-17(30)11-10-16(23(33)35-5-2)27-21(31)15-8-6-14(7-9-15)12-24-19-18-20(29-28-19)25-13(3)26-22(18)32/h6-9,16H,4-5,10-12H2,1-3H3,(H,27,31)(H3,24,25,26,28,29,32)/t16-/m0/s1
InChIKey ZSORNOIAFSHPET-INIZCTEOSA-N
Molecular Weight 484.513 g/mol
SMILES N1C(c2c(N=C1C)[nH]nc2NCc1ccc(C(N[C@](C(=O)OCC)(CCC(=O)OCC)[H])=O)cc1)=O
SPLASH splash10-0ue9-0090000000-d8440478a755fa00bab1
Source of Spectrum F-48-8098-32
Wiley ID 1395947