(2E,4E,6E)-7-Cyclohexyl-N-[(1S,5S,6R)-5-Hydroxy-5-{(1E,3E,5E)-7-[(2-Hydroxy-5-Oxo-1-Cyclopenten-1-Yl)Amino]-7-Oxo-1,3,5-Heptatrien-1-Yl}-2-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-3-Yl]-2,4,6-Heptatrienamide

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Properties Simple | Detailed

Formula C31H34N2O7
IUPAC Name (2e,4e,6e)-7-cyclohexyl-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
Molecular Mass 546.611 g·mol−1
Heat of Formation -624.1 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 653.9 Å 3
Surface Area 597.51 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e)-7-[(1r,2s,6s)-4-[[(2e,4e,6e)-7-cyclohexyl-1-oxohepta-2,4,6-trienyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxo-1-cyclopentenyl)hepta-2,4,6-trienamide
  • (2e,4e,6e)-7-[(1r,2s,6s)-4-[[(2e,4e,6e)-7-cyclohexylhepta-2,4,6-trienoyl]amino]-2-hydroxy-5-keto-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-keto-1-cyclopentenyl)hepta-2,4,6-trienamide
  • (2e,4e,6e)-7-[(1r,2s,6s)-4-[[(2e,4e,6e)-7-cyclohexylhepta-2,4,6-trienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-n-(2-hydroxy-5-oxo-1-cyclopentenyl)hepta-2,4,6-trienamide
  • 2,4,6-heptatrienamide, 7-cyclohexyl-n-(5-hydroxy-5-(7-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-7-oxo-1,3,5-heptatrienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-
  • am 1042
  • asukamycin
CAS Number(s)
  • 61116-33-4
InChIKey SSHVAUUEPNULMP-JHWDTTIQSA-N
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