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
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Synonyms
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- 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
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InChIKey |
XZOCIZHAHWDUPU-MNOVXSKESA-N |
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Links |
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Elements |
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