Chem
J-GLOBAL ID：200907003298042524   Nikkaji number：J1.552.235F

N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7α-cyano-6α,15α-epimino-6,7,9,14,14aα,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9β-yl]methyl]quinoline-2-carboxamide

N-[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12,16-トリメチル-7α-シアノ-6α,15α-エピミノ-6,7,9,14,14aα,15-ヘキサヒドロ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-9β-イル]メチル]キノリン-2-カルボアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C38H41N5O7
Molecular formula furigana： C38-H41-N5-O7
Molecular weight： 679.774
InChI： InChI=1S/C38H41N5O7/c1-18-34(47-4)21-15-26-31-30-22(35(48-5)19(2)37(50-7)33(30)45)14-25(42(31)3)27(16-39)43(26)28(29(21)32(44)36(18)49-6)17-40-38(46)24-13-12-20-10-8-9-11-23(20)41-24/h8-13,25-28,31,44-45H,14-15,17H2,1-7H3,(H,40,46)/t25-,26-,27-,28-,31-/m0/s1
InChI key： MJTJFOMHOQENRK-RIOXTBHYSA-N
SMILES： COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c3ccc4ccccc4n3)c2c1O
Systematic name  (4)：
  • N-[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12,16-トリメチル-7α-シアノ-6α,15α-エピミノ-6,7,9,14,14aα,15-ヘキサヒドロ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-9β-イル]メチル]キノリン-2-カルボアミド
  • N-[[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12,16-トリメチル-7α-シアノ-6,7,9,14,14aα,15-ヘキサヒドロ-6α,15α-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン]-9β-イル]メチル]-2-キノリンカルボアミド
  • N-{[(1R,2S,10R,12R,13S)-12-シアノ-8,19-ジヒドロキシ-5,7,16,18-テトラメトキシ-6,17,21-トリメチル-11,21-ジアザペンタシクロ[11.7.1.02,11.04,9.015,20]ヘンイコサ-4,6,8,15,17,19-ヘキサエン-10-イル]メチル}キノリン-2-カルボキサミド
  • N-{[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15,17,19-hexaen-10-yl]methyl}quinoline-2-carboxamide
Other name (2)：
  • N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7α-cyano-6α,15α-epimino-6,7,9,14,14aα,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9β-yl]methyl]quinoline-2-carboxamide
  • N-[[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7α-cyano-6,7,9,14,14aα,15-hexahydro-6α,15α-epimino-5H-isoquino[3,2-b][3]benzazocine]-9β-yl]methyl]-2-quinolinecarboxamide
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