tanespimycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 391
Total Number of Articles : 670
PubChem 6505803
Molecular Formula

C31H43N3O8

SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

synonyms
  • Tanespimycin
  • 75747-14-7
  • 17-AAG
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Properties
Property Value
MW 585.7 g/mol
HBD 4
HBA 9
Rotatable Bond Count 7
Exact Mass 585.30501534 g/mol
Monoisotopic Mass 585.30501534 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1210
xlogp 2.6
Topological Polar Surface Area 166