N-{(2S)-3-[6-(Dimethylamino)-9H-Purin-9-Yl]-2-Hydroxypropyl}-O-Methyl-L-Tyrosinamide

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Formula C20H27N7O3
IUPAC Name (2s)-2-amino-n-[(2s)-3-[6-(dimethylamino)purin-9-ium-9-yl]-2-hydroxy-propyl]-3-(4-methoxyphenyl)propanamide
Molecular Mass 413.473 g·mol−1
Heat of Formation -248.8 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 498.45 Å 3
Surface Area 373.93 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s)-3-(6-dimethylamino-9-purinyl)-2-hydroxypropyl]-3-(4-methoxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s)-3-(6-dimethylaminopurin-9-yl)-2-hydroxy-propyl]-3-(4-methoxyphenyl)propanamide
  • (2s)-2-amino-n-[(2s)-3-(6-dimethylaminopurin-9-yl)-2-hydroxy-propyl]-3-(4-methoxyphenyl)propionamide
  • (2s)-2-amino-n-[(2s)-3-(6-dimethylaminopurin-9-yl)-2-hydroxypropyl]-3-(4-methoxyphenyl)propanamide
  • 6-dimethylamino-9-(2-hydroxy-3-(4-methoxyphenyl-l-alanylamino)propyl)purine
  • 6-dimethylamino-9-(2-hydroxy-3-(p-methoxyphenyl-l-alanylamino)propyl)purine
  • alpha-amino-n-(3-(6-(dimethylamino)-9h-purin-9-yl)-2-hydroxypropyl)-4-methoxybenzenepropanamide
  • dhmapp
CAS Number(s)
  • 38868-80-3
InChIKey GCUYGOUMHZOMBJ-HOCLYGCPSA-N
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