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(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoic acid
SpectraBase Compound ID 7h2hut48yKy
InChI InChI=1S/C22H26N6O6/c1-22(2,3)34-21(32)26-15(19(29)30)9-10-28-13-25-16-17(23-12-24-18(16)28)27-20(31)33-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,26,32)(H,29,30)(H,23,24,27,31)/t15-/m0/s1
InChIKey UMFGYPAJZKOFES-HNNXBMFYSA-N
Mol Weight 470.49 g/mol
Molecular Formula C22H26N6O6
Exact Mass 470.191383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZbXydw1Pq2
Name (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[6-(phenylmethoxycarbonylamino)purin-9-yl]butanoic acid
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Formula C22H26N6O6
InChI InChI=1S/C22H26N6O6/c1-22(2,3)34-21(32)26-15(19(29)30)9-10-28-13-25-16-17(23-12-24-18(16)28)27-20(31)33-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,26,32)(H,29,30)(H,23,24,27,31)/t15-/m0/s1
InChIKey UMFGYPAJZKOFES-HNNXBMFYSA-N
Molecular Weight 470.486 g/mol
SMILES N(c1c2c([n](CC[C@@](C(=O)O)(NC(OC(C)(C)C)=O)[H])cn2)ncn1)C(=O)OCc1ccccc1
SPLASH splash10-022m-0009900000-2828e34fe511fa0b7816
Source of Spectrum J-62-5448-14
Synonyms (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[6-(phenylmethoxycarbonylamino)-9-purinyl]butanoic acid (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butanoic acid (2S)-4-[6-(benzyloxycarbonylamino)purin-9-yl]-2-(tert-butoxycarbonylamino)butyric acid
Wiley ID 1392744