Identifiers

• Canonical SMILES:

  CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(F)cc(NC(=O)CN5CCCC5)c(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(N)=O)C1=O)O)O

• IUPAC name:

  (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[2-(pyrrolidin-1-yl)acetamido]-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide

• InChi:

  InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1

• InChiKey:

  AKLMFDDQCHURPW-ISIOAQNYSA-N

• SMARTS:

  [#6]-[#7](-[#6])-[#6@H]1-[#6@@H]2-[#6]-[#6@@H]3-[#6]-[#6]4:[#6](-[#9]):[#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#7]5-[#6]-[#6]-[#6]-[#6]-5):[#6](-[#8]):[#6]:4-[#6](=[#6]-3-[#6](=[#8])-[#6@]-2(-[#8])-[#6](=[#6](-[#6](-[#7])=[#8])-[#6]-1=[#8])-[#8])-[#8]

Chemistry rules

External links

54726192 CHEMBL4597183 YQM

RNA-SM complexes