Romidepsin

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Properties Simple | Detailed

Formula C24H36N4O6S2
IUPAC Name (1s,4s,7z,10s,16e,21r)-7-ethylidene-4,21-diisopropyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
Molecular Mass 540.696 g·mol−1
Heat of Formation -1135.5 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 635.41 Å 3
Surface Area 455.44 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4s,7z,10s,16e,21r)-7-ethylidene-4,21-diisopropyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
  • antibiotic fr 901228
  • chromadax
  • d06637
  • fk 228
  • fk-228
  • fk-901228
  • fr 901228
  • fr-901228
  • fr901228
  • hdinhib_000006
  • l-valine, n-((3s,4e)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-d-valyl-d-cysteinyl-(2z)-2-amino-2-butenoxyl-, (4-1)-lactone, cyclic (1-2)-disulfide
  • l-valine, n-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-d-valyl-d-cysteinyl-(z)-2,3-didehydro-2-aminobutanoyl-, xi-lactone, cyclic (1-2)-disulfide, (s-(e))-
  • romidepsin (usan)
CAS Number(s)
  • 128517-07-7
InChIKey OHRURASPPZQGQM-GCCNXGTGSA-N
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