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(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-(6-aminopurin-9-yl)butanoic acid
SpectraBase Compound ID 7DFVgx3klO1
InChI InChI=1S/C12H17N7O3/c1-6(13)11(20)18-7(12(21)22)2-3-19-5-17-8-9(14)15-4-16-10(8)19/h4-7H,2-3,13H2,1H3,(H,18,20)(H,21,22)(H2,14,15,16)/t6-,7+/m1/s1
InChIKey CXQBUSHAZPWJIG-RQJHMYQMSA-N
Mol Weight 307.31 g/mol
Molecular Formula C12H17N7O3
Exact Mass 307.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEbEylyFFsk
Name (2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-(6-aminopurin-9-yl)butanoic acid
Alternate Name(s) (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-(6-aminopurin-9-yl)butanoic acid (2S)-4-(6-aminopurin-9-yl)-2-[[(2R)-2-azanylpropanoyl]amino]butanoic acid (2S)-4-adenin-9-yl-2-[[(2R)-2-aminopropanoyl]amino]butyric acid
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Formula C12H17N7O3
InChI InChI=1S/C12H17N7O3/c1-6(13)11(20)18-7(12(21)22)2-3-19-5-17-8-9(14)15-4-16-10(8)19/h4-7H,2-3,13H2,1H3,(H,18,20)(H,21,22)(H2,14,15,16)/t6-,7+/m1/s1
InChIKey CXQBUSHAZPWJIG-RQJHMYQMSA-N
Molecular Weight 307.314 g/mol
SMILES Nc1c2c([n](CC[C@@](C(=O)O)(NC([C@](N)(C)[H])=O)[H])cn2)ncn1
SPLASH splash10-000i-9410000000-01dee5ed242d61394055
Source of Spectrum F-53-1175-25
Wiley ID 800141