1-[(2S)-2-Amino-3-{(4S)-1-Methyl-2-Oxo-4-[(6-Oxo-1,6-Dihydro-2-Pyrimidinyl)Carbonyl]-4-Imidazolidinyl}Propanoyl]-L-Proline

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Properties Simple | Detailed

Formula C17H22N6O6+
IUPAC Name (2s)-1-[(2s)-2-amino-3-[(4s)-1-methyl-2-oxo-4-(6-oxopyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 406.393 g·mol−1
Heat of Formation -878.7 ± 16.7 kJ·mol−1
Dipole Moment 8.94 ± 1.08 D
Volume 459.61 Å 3
Surface Area 381.41 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-amino-3-[(4s)-1-methyl-2-oxo-4-(4-oxo3h-pyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-amino-3-[(4s)-1-methyl-2-oxo-4-[(4-oxo-3h-pyrimidin-2-yl)carbonyl]imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-amino-3-[(4s)-1-methyl-2-oxo-4-[oxo-(4-oxo-3h-pyrimidin-2-yl)methyl]-4-imidazolidinyl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-amino-3-[(4s)-2-keto-4-(4-keto3h-pyrimidine-2-carbonyl)-1-methyl-imidazolidin-4-yl]propanoyl]proline
  • l-proline, 1-(n-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl)-, (s)-, hydrate (4:5)
CAS Number(s)
  • 103300-77-2
InChIKey JOUVZSDETNOQNE-YMNVWFMLSA-N
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