Manumycin A

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Properties Simple | Detailed

Formula C31H38N2O7
IUPAC Name (2e,4e,6r)-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]-2,4,6-trimethyl-deca-2,4-dienamide
Molecular Mass 550.643 g·mol−1
Heat of Formation -790.9 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 678.06 Å 3
Surface Area 605.63 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e)-n-(2-hydroxy-5-keto-1-cyclopentenyl)-7-[(1r,2s,6s)-2-hydroxy-5-keto-4-[[(2e,4e,6r)-2,4,6-trimethyldeca-2,4-dienoyl]amino]-7-oxabicyclo[4.1.0]hept-3-en-2-yl]hepta-2,4,6-trienamide
  • (2e,4e,6r)-n-[(1r,2s,6s)-2-hydroxy-2-[(1e,3e,5e)-7-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-7-oxo-hepta-1,3,5-trienyl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]-2,4,6-trimethyl-deca-2,4-dienamide
  • (2e,4e,6r)-n-[(1r,2s,6s)-2-hydroxy-2-[(1e,3e,5e)-7-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-7-oxohepta-1,3,5-trienyl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]-2,4,6-trimethyldeca-2,4-dienamide
  • 2,4-decadienamide, 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)-2,4,6-trimethyl-
  • manumycin
  • qtl1_000054
  • smp2_000130
  • ucfi-c
CAS Number(s)
  • 52665-74-4
InChIKey TWWQHCKLTXDWBD-MVTGTTCWSA-N
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