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

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Properties Simple | Detailed

Formula C17H23N6O6S+
IUPAC Name (2s)-2-[[5-[3-(2,6-diamino-4-oxo-pyrimidin-1-ium-3-id-5-yl)propylamino]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular Mass 439.466 g·mol−1
Heat of Formation -912.3 ± 16.7 kJ·mol−1
Dipole Moment 11.47 ± 1.08 D
Volume 493.0 Å 3
Surface Area 445.77 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-[3-(2,4-diamino-6-keto-3h-pyrimidin-5-yl)propylamino]thiophene-2-carbonyl]amino]glutaric acid
  • (2s)-2-[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]thiophen-2-yl]carbonylamino]pentanedioic acid
  • (2s)-2-[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]thiophene-2-carbonyl]amino]pentanedioic acid
  • (2s)-2-[[[5-[3-(2,4-diamino-6-oxo-3h-pyrimidin-5-yl)propylamino]-2-thienyl]-oxomethyl]amino]pentanedioic acid
  • doptcga
  • l-glutamic acid, n-((5-((3-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)propyl)amino)-2-thienyl)carbonyl)-
  • n-((5-((3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)-2-thienoyl)carbonyl)glutamic acid
  • n-((5-((3-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)propyl)amino)-2-thienyl)carbonyl)-l-glutamic acid
CAS Number(s)
  • 158010-68-5
InChIKey XZEOVCAIZUBENT-VIFPVBQESA-N
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