N-[(5-{[3-(2,4-Diamino-6-Hydroxypyrimidin-5-Yl)Propyl]Amino}-1,3-Thiazol-2-Yl)Carbonyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C16H21N7O6S
IUPAC Name (2s)-2-[[5-[3-(2,6-diamino-4-oxo-1h-pyrimidin-5-yl)propylamino]thiazole-2-carbonyl]amino]pentanedioic acid
Molecular Mass 439.446 g·mol−1
Heat of Formation -864.0 ± 16.7 kJ·mol−1
Dipole Moment 11.71 ± 1.08 D
Volume 488.43 Å 3
Surface Area 442.91 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-[3-(2,4-diamino-6-keto-3h-pyrimidin-5-yl)propylamino]thiazole-2-carbonyl]amino]glutaric acid
  • (2s)-2-[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]-1,3-thiazol-2-yl]carbonylamino]pentanedioic acid
  • (2s)-2-[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]1,3-thiazole-2-carbonyl]amino]pentanedioic acid
  • (2s)-2-[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]thiazole-2-carbonyl]amino]pentanedioic acid
  • (2s)-2-[[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]-2-thiazolyl]-oxomethyl]amino]pentanedioic acid
  • doptzga
  • n-((5-((3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)-2-thiazolyl)carbonyl)glutamic acid
CAS Number(s)
  • 158010-69-6
InChIKey AYSIPLPKKFUMDU-QMMMGPOBSA-N
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