N-{[(1S,2R)-2-Methyl-4-Oxocyclopentyl]Carbonyl}-L-Histidyl-L-Prolinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H25N5O4
IUPAC Name (2s)-1-[(2s)-3-(1h-imidazol-5-yl)-2-[[(1s,2r)-2-methyl-4-oxo-cyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 375.422 g·mol−1
Heat of Formation -662.0 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 458.14 Å 3
Surface Area 373.43 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(1s,2r)-2-methyl-4-oxo-cyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(1s,2r)-2-methyl-4-oxo-cyclopentyl]carbonylamino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(1s,2r)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[(1s,2r)-4-keto-2-methyl-cyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-3-(3h-imidazol-4-yl)-2-[[[(1s,2r)-2-methyl-4-oxocyclopentyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxamide
  • jtp 2942
  • jtp-2942
  • l-prolinamide, n-((-methyl-4-oxocyclopentyl)carbonyl)-l-histidyl-, (1s-cis)-
  • l-prolinamide, n-((2-methyl-4-oxocyclopentyl)carbonyl)-l-histidyl-, (1s-cis)-
  • n(alpha)-(2-methyl-4-oxocyclopentanecarbonyl)-l-histidyl-l-prolinamide
CAS Number(s)
  • 148152-77-6
InChIKey MVRLGJKFVUDFCR-KJEVXHAQSA-N
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