3-({3-[(2S)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydro-1(2H)-Pyrimidinyl}Methyl)-5-Phenyl-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C20H19N3O6S
IUPAC Name 3-[[3-[(2s)-2-amino-2-carboxy-ethyl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]methyl]-5-phenyl-thiophene-2-carboxylic acid
Molecular Mass 429.446 g·mol−1
Heat of Formation -878.5 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 480.94 Å 3
Surface Area 389.44 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-2,6-diketo-5-methyl-pyrimidin-1-yl]methyl]-5-phenyl-2-thenoic acid
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]methyl]-5-phenyl-thiophene-2-carboxylic acid
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxo-1-pyrimidinyl]methyl]-5-phenyl-2-thiophenecarboxylic acid
InChIKey LCZDCKMQSBGXAH-AWEZNQCLSA-N
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