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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H19N7O5++
IUPAC Name n-[(1s)-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 -701.4 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 443.12 Å 3
Surface Area 381.05 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • cg 3509
  • cg-3509
  • l-prolinamide, n-((1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-
  • n-((1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-l-prolinamide
  • n-[(1s)-2-[(2s)-2-carbamoyl-1-pyrrolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-2,6-diketo-3h-pyrimidine-4-carboxamide
  • n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(2s)-1-[(2s)-2-aminocarbonylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]-2,6-dioxo-3h-pyrimidine-4-carboxamide
  • orotirelin
  • orotirelina [spanish]
  • orotirelinum [latin]
CAS Number(s)
  • 62305-86-6
InChIKey XZOCIZHAHWDUPU-QWRGUYRKSA-N
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