geldanamycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 578
Total Number of Articles : 1074
PubChem 134694652
Molecular Formula

C29H40N2O9

SMILES

CC1C[C@@H]([C@@H](C(C=C([C@@H](C(/C=C/C=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC

InChI

InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,16-9?,18-13?/t15?,17?,22?,23-,24+,26-/m0/s1

synonyms
  • geldanamycin
  • 30562-34-6
  • BCP02403
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Properties
Property Value
MW 560.6 g/mol
HBD 3
HBA 9
Rotatable Bond Count 5
Exact Mass 560.27338086 g/mol
Monoisotopic Mass 560.27338086 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1150
xlogp 2
Topological Polar Surface Area 164