(2S,5S)-7-(3,4-Dihydro-2H-Pyrrol-5-Ylcarbonyl)-5-(Hydroxymethyl)-2-Isopropyl-1-Methyl-1,2,4,5,6,8-Hexahydro-3H-[1,4]Diazonino[7,6,5-Cd]Indol-3-One

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Properties Simple | Detailed

Formula C22H28N4O3
IUPAC Name (2s,5s)-7-(3,4-dihydro-2h-pyrrol-5-ylcarbonyl)-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
Molecular Mass 396.483 g·mol−1
Heat of Formation -298.3 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 478.83 Å 3
Surface Area 386.16 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 7-((3,4-dihydro-2h-pyrrol-5-yl)carbonyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2s-(2r*,5r*))-
  • blastmycetin f
CAS Number(s)
  • 156312-08-2
InChIKey CKUVDIKBGLVWTK-RBZFPXEDSA-N
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