N-{[(1S,2S,10R,12S,13R)-12,19-Dihydroxy-7,18-Dimethoxy-6,17,21-Trimethyl-5,8-Dioxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15,17,19-Pentaen-10-Yl]Methyl}-L-Alaninamide

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Formula C28H36N4O7
IUPAC Name n-{[(1s,2s,10r,12s,13r)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-l-alaninamide
Molecular Mass 540.608 g·mol−1
Heat of Formation -964.1 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 627.48 Å 3
Surface Area 465.47 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • antibiotic em 5519
  • antibiotic y 16482-alpha
  • antibiotic y 16482alpha
  • em 5519
  • propanamide, 2-amino-n-((6,7,9,10,13,14,14a,15-octahydro-1,7-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5h-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-
  • safracin b
CAS Number(s)
  • 82029-27-4
  • 87578-99-2
InChIKey GKUZBRIJGIGFKC-XPXFATIHSA-N
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