romidepsin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 191
Total Number of Articles : 187
PubChem 166639342
Molecular Formula

C24H36N4O6S2

SMILES

C/C=C/1\C(=O)N[C@H](C(=O)O[C@H]2CC(=O)N[C@H](C(=O)N[C@H](CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

InChI

InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7?,16-6+/t15-,17-,19+,20+/m1/s1

synonyms
  • Romidepsin
  • FK 228;FR 901228;NSC 630176
  • 128517-07-7
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Properties
Property Value
MW 540.7 g/mol
HBD 4
HBA 8
Rotatable Bond Count 2
Exact Mass 540.20762723 g/mol
Monoisotopic Mass 540.20762723 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 905
xlogp 2.2
Topological Polar Surface Area 193