(7S)-7-{[(2S,9S,9Ar)-1,9-Dihydroxy-2-Isobutyl-3-Oxo-2,3,9,9A-Tetrahydro-1H-Imidazo[1,2-A]Indol-9-Yl]Methyl}-6,7-Dihydroquinazolino[3,2-A][1,4]Benzodiazepine-5,13-Dione

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Properties Simple | Detailed

Formula C22H26N5O5+
IUPAC Name (7s)-7-[[(2s,3ar,4s)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Molecular Mass 440.472 g·mol−1
Heat of Formation -376.8 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 629.88 Å 3
Surface Area 484.76 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • asperlicin b
  • quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione, 6,7-dihydro-7-((2,3,9,9a-tetrahydro-1,9-dihydroxy-2-(2-methylpropyl)-3-oxo-1h-imidazo(1,2-a)indol-9-yl)methyl)-, (2s-(2alpha,9beta,9(r*),9abeta))-
CAS Number(s)
  • 93413-08-2
InChIKey SVMKNJGSJSFLSU-IWENFQHWSA-N
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