(3S)-3,6-Diamino-N-[(2S,3R)-2-{[(1R,2S,3S,4S,5S,6R)-2-Amino-3,6-Dihydroxy-4-Methoxy-5-(Methylamino)Cyclohexyl]Oxy}-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-3-Yl]Hexanamide

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Properties Simple | Detailed

Formula C20H36N6O6
IUPAC Name (3s)-3-amino-n-[(2s,3r)-2-[(1r,2s,3s,4s,5s,6r)-2-amino-3,6-dihydroxy-4-methoxy-5-(methylamino)cyclohexoxy]-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]-5-cyano-pentanamide
Molecular Mass 456.536 g·mol−1
Heat of Formation -1068.8 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 563.77 Å 3
Surface Area 472.61 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3,6-diamino-n-[(2s,3r)-2-[(1r,2s,3s,4s,5s,6r)-2-amino-3,6-dihydroxy-4-methoxy-5-methylamino-cyclohexoxy]-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]hexanamide
  • (3s)-3,6-diamino-n-[(2s,3r)-2-[(1r,2s,3s,4s,5s,6r)-2-amino-3,6-dihydroxy-4-methoxy-5-methylamino-cyclohexyl]oxy-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]hexanamide
  • (3s)-3,6-diamino-n-[(2s,3r)-2-[(1r,2s,3s,4s,5s,6r)-2-amino-3,6-dihydroxy-4-methoxy-5-methylaminocyclohexoxy]-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]hexanamide
  • (3s)-3,6-diamino-n-[(2s,3r)-2-[(1r,2s,3s,4s,5s,6r)-2-amino-3,6-dihydroxy-4-methoxy-5-methylaminocyclohexyl]oxy-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]hexanamide
  • d-myo-inositol, 5-amino-6-o-(6-(aminomethyl)-3-((3,6-diamino-1-oxohexyl)amino)-3,4-dihydro-2h-pyran-2-yl)-2,5-dideoxy-3-o-methyl-2-(methylamino)-, (2r-cis)-
  • d-myo-inositol, 5-amino-6-o-(6-(aminomethyl)-3-((3,6-diamino-1-oxohexyl)amino)-3,4-dihydro-2h-pyran-2-yl)-2,5-dideoxy-3-o-methyl-2-(methylamino)-, (2s-(2alpha,3alpha(r*)))-
  • lysinomicin
CAS Number(s)
  • 79528-70-4
InChIKey WTENXKAJCSHCNH-QJSCRMMJSA-N
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DOI
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