Identifiers

• Canonical SMILES:

  CCN(CC)CCSCC(=O)O[C@@H]1C[C@](C)(CCn2cc(nn2)c3ccccc3)[C@@H](O)[C@H](C)[C@@]45CC[C@@H](C)[C@]1(C)[C@@H]4C(=O)CC5

• IUPAC name:

  (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl]decahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate

• InChi:

  InChI=1S/C36H54N4O4S/c1-7-39(8-2)20-21-45-24-31(42)44-30-22-34(5,18-19-40-23-28(37-38-40)27-12-10-9-11-13-27)33(43)26(4)36-16-14-25(3)35(30,6)32(36)29(41)15-17-36/h9-13,23,25-26,30,32-33,43H,7-8,14-22,24H2,1-6H3/t25-,26+,30-,32+,33+,34+,35+,36+/m1/s1

• InChiKey:

  IFFODWVXZODMJM-OLENYWHJSA-N

• SMARTS:

  [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#16]-[#6]-[#6](=[#8])-[#8]-[#6@@H]1-[#6]-[#6@](-[#6])(-[#6]-[#6]-[#7]2:[#6]:[#6](:[#7]:[#7]:2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6@@H](-[#8])-[#6@H](-[#6])-[#6@@]23-[#6]-[#6]-[#6@@H](-[#6])-[#6@]-1(-[#6])-[#6@@H]-2-[#6](=[#8])-[#6]-[#6]-3

Chemistry rules

External links

179075541 A1CQ5

RNA-SM complexes