Identifiers

• Canonical SMILES:

  CCN(CC)CCSCC(=O)O[C@@H]1C[C@](C)(CCn2cc(COCc3ccccc3)nn2)[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)-6-(2-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate

• InChi:

  InChI=1S/C38H58N4O5S/c1-7-41(8-2)20-21-48-26-33(44)47-32-22-36(5,18-19-42-23-30(39-40-42)25-46-24-29-12-10-9-11-13-29)35(45)28(4)38-16-14-27(3)37(32,6)34(38)31(43)15-17-38/h9-13,23,27-28,32,34-35,45H,7-8,14-22,24-26H2,1-6H3/t27-,28+,32-,34+,35+,36+,37+,38+/m1/s1

• InChiKey:

  VSFCJNFRUNIOPG-QIYKYZQBSA-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](-[#6]-[#8]-[#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#7]: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

179075540 A1CRD

RNA-SM complexes