N-[(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)Carbonyl]-D-Histidyl-L-Prolinamide

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Properties Simple | Detailed

Formula C16H19N7O5
IUPAC Name n-[(1r)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(4h-imidazole-4,5-diylium-5-ylmethyl)-2-oxo-ethyl]-2,6-dioxo-pyrimidine-4-carboxamide
Molecular Mass 389.366 g·mol−1
Heat of Formation -701.5 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 445.87 Å 3
Surface Area 377.8 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-2-[(2s)-2-carbamoyl-1-pyrrolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(1r)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-2,6-diketo-3h-pyrimidine-4-carboxamide
  • n-[(1r)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(2r)-1-[(2s)-2-aminocarbonylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(2r)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
InChIKey XZOCIZHAHWDUPU-MNOVXSKESA-N
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