apicidin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 135
Total Number of Articles : 91
PubChem 124933487
Molecular Formula

C34H49N5O6

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC

InChI

InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29-,30-/m0/s1

synonyms
  • apicidin
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Properties
Property Value
MW 623.8 g/mol
HBD 3
HBA 6
Rotatable Bond Count 12
Exact Mass 623.36828430 g/mol
Monoisotopic Mass 623.36828430 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1050
xlogp 4.4
Topological Polar Surface Area 139