Epelsiban

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Formula C30H38N4O4
IUPAC Name 2-[(z)-[(8s)-8-cyano-6-oxo-8,9-dihydropyrido[2,1-c][1,4]oxazin-7-ylidene]amino]-2-(2-methylenecyclopropyl)-n-[[(5z)-2-(oxomethylene)cyclonona-2,3,5-trien-8-yn-1-yl]methyl]acetamide
Molecular Mass 518.647 g·mol−1
Heat of Formation -615.9 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 631.76 Å 3
Surface Area 475.74 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6r)-1-[(1r)-1-(2,6-dimethyl-3-pyridyl)-2-keto-2-morpholino-ethyl]-3-indan-2-yl-6-sec-butyl-piperazine-2,5-quinone
  • (3r,6r)-1-[(1r)-1-(2,6-dimethyl-3-pyridyl)-2-morpholino-2-oxo-ethyl]-3-indan-2-yl-6-sec-butyl-piperazine-2,5-dione
  • (3r,6r)-1-[(1r)-1-(2,6-dimethyl-3-pyridyl)-2-morpholino-2-oxoethyl]-3-(2-indanyl)-6-sec-butylpiperazine-2,5-dione
  • (3r,6r)-6-[(2s)-butan-2-yl]-3-(2,3-dihydro-1h-inden-2-yl)-1-[(1r)-1-(2,6-dimethylpyridin-3-yl)-2-morpholin-4-yl-2-oxo-ethyl]piperazine-2,5-dione
  • (3r,6r)-6-[(2s)-butan-2-yl]-3-(2,3-dihydro-1h-inden-2-yl)-1-[(1r)-1-(2,6-dimethylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
InChIKey UWHCWRQFNKUYCG-QUZACWSFSA-N
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