N-{[(1S,2S,10R,12S,13R,14S)-12,16,19-Trihydroxy-7,14,18-Trimethoxy-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 C29H38N4O9
IUPAC Name n-{[(1s,2s,10r,12s,13r,14s)-12,16,19-trihydroxy-7,14,18-trimethoxy-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 586.633 g·mol−1
Heat of Formation -1314.1 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 663.36 Å 3
Surface Area 510.66 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • propanamide, 2-amino-n-((6,7,9,10,13,14,14a,15-octahydro-1,4,7-trihydroxy-2,5,11-trimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5h-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-, (5s-(5-alpha,6-beta,7-alpha,9-beta(r*),14a-alpha,15-beta))-
  • saframycin mx1
CAS Number(s)
  • 113036-78-5
InChIKey QSLZNGPMBOCIAZ-QSNGQZDXSA-N
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