(2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoic acid

SpectraBase Compound ID	1nWDCECgQBf
InChI	InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m0/s1
InChIKey	LJJHXRRUVASJDX-WWQRDVDESA-N Google Search
Mol Weight	306.33 g/mol
Molecular Formula	C13H18N6O3
Exact Mass	306.144038 g/mol

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SpectraBase Spectrum ID	57K6odypUuI
Name	(2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoic acid
CAS Registry Number	58137-33-0
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H18N6O3
InChI	InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m0/s1
InChIKey	LJJHXRRUVASJDX-WWQRDVDESA-N
Molecular Weight	306.326 g/mol
SMILES	N(c1c2c([n](C[C@@](C(=O)O)(N)[H])cn2)ncn1)C\C=C\(CO)C
SPLASH	splash10-0udr-4950000000-d3e8c7c491a16072cb87
Source of Spectrum	B-31-1292-0
Synonyms	(2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionic acid (2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoic acid (2S)-2-ammonio-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionate (2S)-2-ammonio-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoate (2S)-2-azaniumyl-3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate (2S)-2-azaniumyl-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoate (2S)-2-azanyl-3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoic acid Lupinic acid
Wiley ID	1307728