(+/-)-Nisamycin

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Formula C24H27NO6
IUPAC Name (2e,4e,6e)-7-[(1s,2r,6r)-4-[[(2e,4e)-5-cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienoic acid
Molecular Mass 425.474 g·mol−1
Heat of Formation -629.1 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 513.75 Å 3
Surface Area 471.54 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e)-7-[(1s,2r,6r)-4-[[(2e,4e)-5-cyclohexyl-1-oxopenta-2,4-dienyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienoic acid
  • (2e,4e,6e)-7-[(1s,2r,6r)-4-[[(2e,4e)-5-cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-keto-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienoic acid
  • (2e,4e,6e)-7-[(1s,2r,6r)-4-[[(2e,4e)-5-cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienoic acid
  • 2,4,6-heptatrienoic acid, 7-(4-((5-cyclohexyl-1-oxo-2,4-pentadienyl)amino)-2-hydroxy-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-2-yl)-, (1s-(1alpha,2beta,2(2e,4e,6e),4(2e,4e),6alpha))-
CAS Number(s)
  • 150829-93-9
InChIKey BUSGWUFLNHIBPT-XYBORKQMSA-N
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